3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine

C7H14N4 — CID 61353394

IUPAC3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCc1nnc(CCCN)n1C
InChIInChI=1S/C7H14N4/c1-6-9-10-7(11(6)2)4-3-5-8/h3-5,8H2,1-2H3
InChIKeyWPOPKALCUXTWBT-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.01
Rot. Bonds3

About 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine

3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine (PubChem CID 61353394) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine
PubChem CID61353394
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine
SMILESCc1nnc(CCCN)n1C
InChIInChI=1S/C7H14N4/c1-6-9-10-7(11(6)2)4-3-5-8/h3-5,8H2,1-2H3
InChIKeyWPOPKALCUXTWBT-UHFFFAOYSA-N
XLogP0.01
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine?
The IUPAC name of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine (CID 61353394) is 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the SMILES notation for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine?
The canonical SMILES for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine is Cc1nnc(CCCN)n1C.
What is the InChIKey of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine?
The InChIKey is WPOPKALCUXTWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-6-9-10-7(11(6)2)4-3-5-8/h3-5,8H2,1-2H3.
What are the key properties of 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine?
3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine has a molecular weight of 154.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1,2,4-triazol-3-yl)propan-1-amine is sourced from PubChem (CID 61353394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).