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

C10H15N5 — CID 104685745

IUPAC4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine
SMILESCC(CCCN)c1nnc2ncccn12
InChIInChI=1S/C10H15N5/c1-8(4-2-5-11)9-13-14-10-12-6-3-7-15(9)10/h3,6-8H,2,4-5,11H2,1H3
InChIKeyAEDHMDJPEGWKNF-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.97
Rot. Bonds4

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

4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine (PubChem CID 104685745) has the molecular formula C10H15N5 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine.

Molecular Properties

Compound Name4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine
PubChem CID104685745
Molecular FormulaC10H15N5
Molecular Weight205.26 g/mol
Exact Mass205.13
IUPAC Name4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine
SMILESCC(CCCN)c1nnc2ncccn12
InChIInChI=1S/C10H15N5/c1-8(4-2-5-11)9-13-14-10-12-6-3-7-15(9)10/h3,6-8H,2,4-5,11H2,1H3
InChIKeyAEDHMDJPEGWKNF-UHFFFAOYSA-N
XLogP0.97
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine?
The IUPAC name of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine (CID 104685745) is 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine.
What is the SMILES notation for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine?
The canonical SMILES for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine is CC(CCCN)c1nnc2ncccn12.
What is the InChIKey of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine?
The InChIKey is AEDHMDJPEGWKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-8(4-2-5-11)9-13-14-10-12-6-3-7-15(9)10/h3,6-8H,2,4-5,11H2,1H3.
What are the key properties of 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine?
4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine has a molecular weight of 205.26 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,2,4]triazolo[4,3-a]pyrimidin-3-yl)pentan-1-amine is sourced from PubChem (CID 104685745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).