2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

Name: 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₃H₂₁N₅O — CID 66271113

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

SMILESCCCNC(C)CCCn1nc2cnccn2c1=O

InChIInChI=1S/C13H21N5O/c1-3-6-15-11(2)5-4-8-18-13(19)17-9-7-14-10-12(17)16-18/h7,9-11,15H,3-6,8H2,1-2H3

InChIKeyYECAHNJWIZJUEV-UHFFFAOYSA-N

MW263.34 g/mol

LogP1.06

Rot. Bonds7

About 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66271113) has the molecular formula C₁₃H₂₁N₅O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name	2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID	66271113
Molecular Formula	C₁₃H₂₁N₅O
Molecular Weight	263.34 g/mol
Exact Mass	263.17
IUPAC Name	2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILES	CCCNC(C)CCCn1nc2cnccn2c1=O
InChI	InChI=1S/C13H21N5O/c1-3-6-15-11(2)5-4-8-18-13(19)17-9-7-14-10-12(17)16-18/h7,9-11,15H,3-6,8H2,1-2H3
InChIKey	YECAHNJWIZJUEV-UHFFFAOYSA-N
XLogP	1.06
TPSA	64.22 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	7
Heavy Atoms	19
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.34
LogP ≤ 5	1.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

The IUPAC name of 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66271113) is 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

What is the SMILES notation for 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

The canonical SMILES for 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CCCNC(C)CCCn1nc2cnccn2c1=O.

What is the InChIKey of 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

The InChIKey is YECAHNJWIZJUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-3-6-15-11(2)5-4-8-18-13(19)17-9-7-14-10-12(17)16-18/h7,9-11,15H,3-6,8H2,1-2H3.

What are the key properties of 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one?

2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 263.34 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(propylamino)pentyl]-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66271113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 66271113 — identifiers, structure, computed properties (public domain)

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