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

C16H19N7 — CID 58095931

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1
InChIInChI=1S/C16H19N7/c1-2-8-22(7-1)16-18-15(13-4-3-9-23(13)21-16)17-14-10-12(19-20-14)11-5-6-11/h3-4,9-11H,1-2,5-8H2,(H2,17,18,19,20,21)
InChIKeyWXQUHGYEGUHHNG-UHFFFAOYSA-N
MW309.38 g/mol
LogP2.67
Rot. Bonds4

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

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 58095931) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID58095931
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESc1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1
InChIInChI=1S/C16H19N7/c1-2-8-22(7-1)16-18-15(13-4-3-9-23(13)21-16)17-14-10-12(19-20-14)11-5-6-11/h3-4,9-11H,1-2,5-8H2,(H2,17,18,19,20,21)
InChIKeyWXQUHGYEGUHHNG-UHFFFAOYSA-N
XLogP2.67
TPSA74.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 58095931) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is c1cc2c(Nc3cc(C4CC4)[nH]n3)nc(N3CCCC3)nn2c1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is WXQUHGYEGUHHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-2-8-22(7-1)16-18-15(13-4-3-9-23(13)21-16)17-14-10-12(19-20-14)11-5-6-11/h3-4,9-11H,1-2,5-8H2,(H2,17,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 309.38 g/mol, XLogP of 2.67, 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-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 58095931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).