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

C5H10N4 — CID 22506897

IUPAC1-(2H-triazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn[nH]n1
InChIInChI=1S/C5H10N4/c1-2-4(6)5-3-7-9-8-5/h3-4H,2,6H2,1H3,(H,7,8,9)
InChIKeyARLLSPNVJUYTLK-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.21
Rot. Bonds2

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

1-(2H-triazol-4-yl)propan-1-amine (PubChem CID 22506897) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 1-(2H-triazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2H-triazol-4-yl)propan-1-amine
PubChem CID22506897
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name1-(2H-triazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn[nH]n1
InChIInChI=1S/C5H10N4/c1-2-4(6)5-3-7-9-8-5/h3-4H,2,6H2,1H3,(H,7,8,9)
InChIKeyARLLSPNVJUYTLK-UHFFFAOYSA-N
XLogP0.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2H-triazol-4-yl)propan-1-amine?
The IUPAC name of 1-(2H-triazol-4-yl)propan-1-amine (CID 22506897) is 1-(2H-triazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2H-triazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(2H-triazol-4-yl)propan-1-amine is CCC(N)c1cn[nH]n1.
What is the InChIKey of 1-(2H-triazol-4-yl)propan-1-amine?
The InChIKey is ARLLSPNVJUYTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-2-4(6)5-3-7-9-8-5/h3-4H,2,6H2,1H3,(H,7,8,9).
What are the key properties of 1-(2H-triazol-4-yl)propan-1-amine?
1-(2H-triazol-4-yl)propan-1-amine has a molecular weight of 126.16 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2H-triazol-4-yl)propan-1-amine is sourced from PubChem (CID 22506897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).