2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine

C9H13N5 — CID 65221088

IUPAC2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine
SMILESCCC(CN)c1nnc2ncccn12
InChIInChI=1S/C9H13N5/c1-2-7(6-10)8-12-13-9-11-4-3-5-14(8)9/h3-5,7H,2,6,10H2,1H3
InChIKeySWXUPBINTPHSCL-UHFFFAOYSA-N
MW191.24 g/mol
LogP0.58
Rot. Bonds3

About 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine

2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine (PubChem CID 65221088) has the molecular formula C9H13N5 and a molecular weight of 191.24 g/mol. Its IUPAC name is 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine
PubChem CID65221088
Molecular FormulaC9H13N5
Molecular Weight191.24 g/mol
Exact Mass191.12
IUPAC Name2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine
SMILESCCC(CN)c1nnc2ncccn12
InChIInChI=1S/C9H13N5/c1-2-7(6-10)8-12-13-9-11-4-3-5-14(8)9/h3-5,7H,2,6,10H2,1H3
InChIKeySWXUPBINTPHSCL-UHFFFAOYSA-N
XLogP0.58
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine?
The IUPAC name of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine (CID 65221088) is 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine.
What is the SMILES notation for 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine?
The canonical SMILES for 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine is CCC(CN)c1nnc2ncccn12.
What is the InChIKey of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine?
The InChIKey is SWXUPBINTPHSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5/c1-2-7(6-10)8-12-13-9-11-4-3-5-14(8)9/h3-5,7H,2,6,10H2,1H3.
What are the key properties of 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine?
2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine has a molecular weight of 191.24 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)butan-1-amine is sourced from PubChem (CID 65221088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).