N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C17H21N7 — CID 78030389

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C17H21N7/c1-11-4-2-8-23(11)17-19-16(14-5-3-9-24(14)22-17)18-15-10-13(20-21-15)12-6-7-12/h3,5,9-12H,2,4,6-8H2,1H3,(H2,18,19,20,21,22)
InChIKeyXVLNVMMSJSNSSE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.06
Rot. Bonds4

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 78030389) has the molecular formula C17H21N7 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID78030389
Molecular FormulaC17H21N7
Molecular Weight323.40 g/mol
Exact Mass323.19
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCC1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1
InChIInChI=1S/C17H21N7/c1-11-4-2-8-23(11)17-19-16(14-5-3-9-24(14)22-17)18-15-10-13(20-21-15)12-6-7-12/h3,5,9-12H,2,4,6-8H2,1H3,(H2,18,19,20,21,22)
InChIKeyXVLNVMMSJSNSSE-UHFFFAOYSA-N
XLogP3.06
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
[(3R)-3-aminopyrrolidin-1-yl]-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]methanone
CID 71137948
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-(oxan-4-yl)ethanone
CID 58277599
2-[4-(cyclopropylmethylamino)cyclohexyl]-1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]ethanone
CID 58277670
N-[[(3S)-1-cyclopropylpiperidin-3-yl]methyl]-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 163729061
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-ethylpyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 143606522
acetylene;N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine;methyl formate
CID 143606516
1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-[1-(oxan-4-yl)piperidin-3-yl]pyrrolidine-2-carboxamide
CID 76590918
1-[(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]ethanone
CID 58277689
5-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-methyl-2-oxa-5-azabicyclo[2.2.0]hexan-3-one
CID 89150058
N-[1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperidin-4-yl]-3-piperidin-1-ylpropanamide
CID 68841525
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoro-3-pyridinyl)-2-methylpyrrolidine-2-carboxamide
CID 24785538

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 78030389) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is XVLNVMMSJSNSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7/c1-11-4-2-8-23(11)17-19-16(14-5-3-9-24(14)22-17)18-15-10-13(20-21-15)12-6-7-12/h3,5,9-12H,2,4,6-8H2,1H3,(H2,18,19,20,21,22).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 323.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 78030389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).