4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride

C20H17Cl4N10O2P — CID 159184271

IUPAC4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride
SMILESCn1cc(-c2cc3c(=O)[nH]cnn3c2)cn1.Cn1cc(-c2cc3c(Cl)ncnn3c2)cn1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C10H8ClN5.C10H9N5O.Cl3OP/c1-15-4-8(3-13-15)7-2-9-10(11)12-6-14-16(9)5-7;1-14-4-8(3-12-14)7-2-9-10(16)11-6-13-15(9)5-7;1-5(2,3)4/h2-6H,1H3;2-6H,1H3,(H,11,13,16);
InChIKeyKNHAWROEWFKZEX-UHFFFAOYSA-N
MW602.21 g/mol
LogP5.02
Rot. Bonds2

About 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride

4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride (PubChem CID 159184271) has the molecular formula C20H17Cl4N10O2P and a molecular weight of 602.21 g/mol. Its IUPAC name is 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride.

Molecular Properties

Compound Name4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride
PubChem CID159184271
Molecular FormulaC20H17Cl4N10O2P
Molecular Weight602.21 g/mol
Exact Mass600.00
IUPAC Name4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride
SMILESCn1cc(-c2cc3c(=O)[nH]cnn3c2)cn1.Cn1cc(-c2cc3c(Cl)ncnn3c2)cn1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C10H8ClN5.C10H9N5O.Cl3OP/c1-15-4-8(3-13-15)7-2-9-10(11)12-6-14-16(9)5-7;1-14-4-8(3-12-14)7-2-9-10(16)11-6-13-15(9)5-7;1-5(2,3)4/h2-6H,1H3;2-6H,1H3,(H,11,13,16);
InChIKeyKNHAWROEWFKZEX-UHFFFAOYSA-N
XLogP5.02
TPSA133.06 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500602.21
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride with MolForge

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Related Compounds

3-methyl-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 138630499
4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;hydrochloride
CID 164572757
4-chloro-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]benzenesulfinamide
CID 138715674
N-[(1S)-1-(4-chlorophenyl)propyl]-3-methyl-1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidine-3-carboxamide
CID 118696921
iodomethane;6-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 145116229
2-(4-chlorophenyl)-N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]acetamide
CID 126492057
N-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]phenyl]propane-2-sulfonamide
CID 126492040
6-ethyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 174366236
2-(4-chlorophenyl)-N-[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]acetamide
CID 118698075
7-(1-methylpyrazol-4-yl)-6-nitro-3H-quinazolin-4-one
CID 146268491
(1S)-1-(4-chlorophenyl)-N-[[1-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]azetidin-3-yl]methyl]propan-1-amine
CID 118881509
ethane;6-(1-methylpyrazol-4-yl)-4-[4-[5-(2,4,6-trifluorophenyl)pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazine
CID 144831617

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?
The IUPAC name of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride (CID 159184271) is 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride.
What is the SMILES notation for 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?
The canonical SMILES for 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride is Cn1cc(-c2cc3c(=O)[nH]cnn3c2)cn1.Cn1cc(-c2cc3c(Cl)ncnn3c2)cn1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?
The InChIKey is KNHAWROEWFKZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5.C10H9N5O.Cl3OP/c1-15-4-8(3-13-15)7-2-9-10(11)12-6-14-16(9)5-7;1-14-4-8(3-12-14)7-2-9-10(16)11-6-13-15(9)5-7;1-5(2,3)4/h2-6H,1H3;2-6H,1H3,(H,11,13,16);.
What are the key properties of 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride?
4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride has a molecular weight of 602.21 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine;6-(1-methylpyrazol-4-yl)-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;phosphoryl trichloride is sourced from PubChem (CID 159184271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).