[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate

C14H12ClN7O3 — CID 175582724

IUPAC[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate
SMILESCn1cc(Nc2nnc(Cl)c(Oc3cccc(OC(N)=O)c3)n2)cn1
InChIInChI=1S/C14H12ClN7O3/c1-22-7-8(6-17-22)18-14-19-12(11(15)20-21-14)24-9-3-2-4-10(5-9)25-13(16)23/h2-7H,1H3,(H2,16,23)(H,18,19,21)
InChIKeyQKVYUUGUJDOAAY-UHFFFAOYSA-N
MW361.75 g/mol
LogP2.25
Rot. Bonds5

About [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate

[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate (PubChem CID 175582724) has the molecular formula C14H12ClN7O3 and a molecular weight of 361.75 g/mol. Its IUPAC name is [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate.

Molecular Properties

Compound Name[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate
PubChem CID175582724
Molecular FormulaC14H12ClN7O3
Molecular Weight361.75 g/mol
Exact Mass361.07
IUPAC Name[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate
SMILESCn1cc(Nc2nnc(Cl)c(Oc3cccc(OC(N)=O)c3)n2)cn1
InChIInChI=1S/C14H12ClN7O3/c1-22-7-8(6-17-22)18-14-19-12(11(15)20-21-14)24-9-3-2-4-10(5-9)25-13(16)23/h2-7H,1H3,(H2,16,23)(H,18,19,21)
InChIKeyQKVYUUGUJDOAAY-UHFFFAOYSA-N
XLogP2.25
TPSA130.07 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate with MolForge

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Related Compounds

4-(3-aminophenoxy)-5-(4-methylpiperazin-1-yl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 163280858
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
[3-[3-[2-[(1-methylpyrazol-4-yl)amino]-5-morpholin-4-ylpyrimidin-4-yl]oxyanilino]-3-oxoprop-1-en-2-yl] 2,2,2-trifluoroacetate
CID 155757287
2-amino-5-[(1-methylpyrazol-4-yl)amino]benzamide
CID 61305903
6-[(1-methylpyrazol-4-yl)amino]pyridine-2-carbothioamide
CID 64588633
2-[2-[2-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]ethyl]phenyl]propanamide
CID 73297207
4-hydroxy-2-[(1-methylpyrazol-4-yl)amino]benzamide
CID 164587081
6-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidine-4-carbothioamide
CID 107546628
1-(3-chlorophenoxy)-3-[(1-methylpyrazol-4-yl)amino]propan-2-ol
CID 79779141
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
benzyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71846936
5-chloro-4-N-[1-(3-methoxyphenyl)ethyl]-2-N-(1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 71240937

Frequently Asked Questions

What is the IUPAC name of [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate?
The IUPAC name of [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate (CID 175582724) is [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate.
What is the SMILES notation for [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate?
The canonical SMILES for [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate is Cn1cc(Nc2nnc(Cl)c(Oc3cccc(OC(N)=O)c3)n2)cn1.
What is the InChIKey of [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate?
The InChIKey is QKVYUUGUJDOAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN7O3/c1-22-7-8(6-17-22)18-14-19-12(11(15)20-21-14)24-9-3-2-4-10(5-9)25-13(16)23/h2-7H,1H3,(H2,16,23)(H,18,19,21).
What are the key properties of [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate?
[3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate has a molecular weight of 361.75 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-chloro-3-[(1-methylpyrazol-4-yl)amino]-1,2,4-triazin-5-yl]oxy]phenyl] carbamate is sourced from PubChem (CID 175582724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).