1-(1,2,4-triazol-1-yl)propan-2-amine

C5H10N4 — CID 6484104

IUPAC1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(N)Cn1cncn1
InChIInChI=1S/C5H10N4/c1-5(6)2-9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKeyZTZDXHFMAKRNMX-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.37
Rot. Bonds2

About 1-(1,2,4-triazol-1-yl)propan-2-amine

1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 6484104) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID6484104
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(N)Cn1cncn1
InChIInChI=1S/C5H10N4/c1-5(6)2-9-4-7-3-8-9/h3-5H,2,6H2,1H3
InChIKeyZTZDXHFMAKRNMX-UHFFFAOYSA-N
XLogP-0.37
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of 1-(1,2,4-triazol-1-yl)propan-2-amine (CID 6484104) is 1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(1,2,4-triazol-1-yl)propan-2-amine is CC(N)Cn1cncn1.
What is the InChIKey of 1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is ZTZDXHFMAKRNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(6)2-9-4-7-3-8-9/h3-5H,2,6H2,1H3.
What are the key properties of 1-(1,2,4-triazol-1-yl)propan-2-amine?
1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 126.16 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 6484104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).