2-(1H-1,2,4-triazol-5-yl)propan-2-amine

C5H10N4 — CID 61360616

IUPAC2-(1H-1,2,4-triazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1ncn[nH]1
InChIInChI=1S/C5H10N4/c1-5(2,6)4-7-3-8-9-4/h3H,6H2,1-2H3,(H,7,8,9)
InChIKeyRLJVJOHKWIRKKJ-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.00
Rot. Bonds1

About 2-(1H-1,2,4-triazol-5-yl)propan-2-amine

2-(1H-1,2,4-triazol-5-yl)propan-2-amine (PubChem CID 61360616) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-yl)propan-2-amine.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-yl)propan-2-amine
PubChem CID61360616
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name2-(1H-1,2,4-triazol-5-yl)propan-2-amine
SMILESCC(C)(N)c1ncn[nH]1
InChIInChI=1S/C5H10N4/c1-5(2,6)4-7-3-8-9-4/h3H,6H2,1-2H3,(H,7,8,9)
InChIKeyRLJVJOHKWIRKKJ-UHFFFAOYSA-N
XLogP-0.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-1,2,4-triazol-5-yl)propan-2-amine?
The IUPAC name of 2-(1H-1,2,4-triazol-5-yl)propan-2-amine (CID 61360616) is 2-(1H-1,2,4-triazol-5-yl)propan-2-amine.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-yl)propan-2-amine?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-yl)propan-2-amine is CC(C)(N)c1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-yl)propan-2-amine?
The InChIKey is RLJVJOHKWIRKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c1-5(2,6)4-7-3-8-9-4/h3H,6H2,1-2H3,(H,7,8,9).
What are the key properties of 2-(1H-1,2,4-triazol-5-yl)propan-2-amine?
2-(1H-1,2,4-triazol-5-yl)propan-2-amine has a molecular weight of 126.16 g/mol, XLogP of -0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-yl)propan-2-amine is sourced from PubChem (CID 61360616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).