4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C16H15N7 — CID 91431192

IUPAC4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3)nn3cccc23)n[nH]1
InChIInChI=1S/C16H15N7/c1-11-10-14(21-20-11)18-15-13-8-5-9-23(13)22-16(19-15)17-12-6-3-2-4-7-12/h2-10H,1H3,(H3,17,18,19,20,21,22)
InChIKeyOCDUQJMVENCDOV-UHFFFAOYSA-N
MW305.35 g/mol
LogP3.25
Rot. Bonds4

About 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 91431192) has the molecular formula C16H15N7 and a molecular weight of 305.35 g/mol. Its IUPAC name is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID91431192
Molecular FormulaC16H15N7
Molecular Weight305.35 g/mol
Exact Mass305.14
IUPAC Name4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCc1cc(Nc2nc(Nc3ccccc3)nn3cccc23)n[nH]1
InChIInChI=1S/C16H15N7/c1-11-10-14(21-20-11)18-15-13-8-5-9-23(13)22-16(19-15)17-12-6-3-2-4-7-12/h2-10H,1H3,(H3,17,18,19,20,21,22)
InChIKeyOCDUQJMVENCDOV-UHFFFAOYSA-N
XLogP3.25
TPSA82.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Related Compounds

4-N-(1-benzylpyrrolidin-3-yl)-2-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 91587131
2-(4-fluorophenyl)-2-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]ethanol
CID 58494447
2-[(2Z,4Z)-hexa-2,4-dienyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143218728
3-[3-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-8-azabicyclo[3.2.1]octan-8-yl]propanenitrile
CID 166769928
N-(5-methyl-1H-pyrazol-3-yl)-2-[4-[(1-phenylcyclopropyl)methyl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 90185527
2-[C-(4-fluorophenyl)-N-methylcarbonimidoyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 88880749
2-[dimethylamino-(4-fluorophenyl)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58494368
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylethanone
CID 58532775
2-[(4-fluorophenyl)-(methoxyamino)methyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 45107763
(4-fluoro-3-methylphenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methanol
CID 58494344
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 58532709
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 143606522

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 91431192) is 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is Cc1cc(Nc2nc(Nc3ccccc3)nn3cccc23)n[nH]1.
What is the InChIKey of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is OCDUQJMVENCDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7/c1-11-10-14(21-20-11)18-15-13-8-5-9-23(13)22-16(19-15)17-12-6-3-2-4-7-12/h2-10H,1H3,(H3,17,18,19,20,21,22).
What are the key properties of 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 305.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1H-pyrazol-3-yl)-2-N-phenylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 91431192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).