5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

C18H19N7 — CID 155551740

IUPAC5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)Cn1nccc1-c1cc(-c2cccnc2)n2ncnc(N)c12
InChIInChI=1S/C18H19N7/c1-12(2)10-24-15(5-7-22-24)14-8-16(13-4-3-6-20-9-13)25-17(14)18(19)21-11-23-25/h3-9,11-12H,10H2,1-2H3,(H2,19,21,23)
InChIKeyXVVQQJGZLWMEGO-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.89
Rot. Bonds4

About 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine

5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 155551740) has the molecular formula C18H19N7 and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID155551740
Molecular FormulaC18H19N7
Molecular Weight333.40 g/mol
Exact Mass333.17
IUPAC Name5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC(C)Cn1nccc1-c1cc(-c2cccnc2)n2ncnc(N)c12
InChIInChI=1S/C18H19N7/c1-12(2)10-24-15(5-7-22-24)14-8-16(13-4-3-6-20-9-13)25-17(14)18(19)21-11-23-25/h3-9,11-12H,10H2,1-2H3,(H2,19,21,23)
InChIKeyXVVQQJGZLWMEGO-UHFFFAOYSA-N
XLogP2.89
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

7-[3-(2-morpholin-4-ylpropyl)phenyl]-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 130363578
(5S)-4-[4-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-pyridinyl]-5-ethenyl-2,2-dimethylmorpholin-3-one
CID 139394875
3-[2-[3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-2-methylbutan-2-ol
CID 130363398
(2S)-1-(5,6-dimethylbenzimidazol-1-yl)-3-(5-pyridin-3-ylpyrazol-1-yl)propan-2-ol
CID 124588614
4-phenyl-1-(5-pyridin-3-ylpyrazol-1-yl)butan-2-ol
CID 86815175
3-[4-amino-5-[2-(oxan-4-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenecarboximidamide
CID 130363579
4-acetyl-1-[4-[4-amino-5-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-pyridinyl]-3,3-dimethylpiperazin-2-one
CID 145068608
5-(4-aminophenyl)-7-[1-(2-methylpropyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 131980319
(1R)-2-(5-pyridin-3-ylpyrazol-1-yl)-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 124588606
4-amino-7-pyridin-4-yl-N-(2-pyridin-3-ylethyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225010
1-[5-[4-amino-5-[2-(1,1,1-trifluoropropan-2-yl)pyrazol-3-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-fluorophenyl]-4-(cyclopropanecarbonyl)-3,3-dimethylpiperazin-2-one
CID 130363087
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 155551740) is 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is CC(C)Cn1nccc1-c1cc(-c2cccnc2)n2ncnc(N)c12.
What is the InChIKey of 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XVVQQJGZLWMEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7/c1-12(2)10-24-15(5-7-22-24)14-8-16(13-4-3-6-20-9-13)25-17(14)18(19)21-11-23-25/h3-9,11-12H,10H2,1-2H3,(H2,19,21,23).
What are the key properties of 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 333.40 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methylpropyl)pyrazol-3-yl]-7-pyridin-3-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 155551740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).