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

C7H14N4 — CID 62692789

IUPAC1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCn1cnnc1CC(C)N
InChIInChI=1S/C7H14N4/c1-3-11-5-9-10-7(11)4-6(2)8/h5-6H,3-4,8H2,1-2H3
InChIKeyBAZCUDUYINXJRB-UHFFFAOYSA-N
MW154.22 g/mol
LogP0.19
Rot. Bonds3

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

1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 62692789) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID62692789
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Name1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
SMILESCCn1cnnc1CC(C)N
InChIInChI=1S/C7H14N4/c1-3-11-5-9-10-7(11)4-6(2)8/h5-6H,3-4,8H2,1-2H3
InChIKeyBAZCUDUYINXJRB-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-propan-2-yl-1,2,4-triazol-3-yl)propan-2-amine
CID 62696425
4-(4-ethyl-1,2,4-triazol-3-yl)-2-methylbutan-1-amine
CID 82014118
(2R)-1-(1-ethylimidazol-2-yl)propan-2-amine
CID 92763393
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(methylamino)propane-2-sulfonamide
CID 106304410
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987229
2-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpentanamide
CID 103813831
1-[(4-ethyl-1,2,4-triazol-3-yl)methylamino]propan-2-ol
CID 106302438
4-propyl-3-(2,4,4-trimethylpentyl)-1,2,4-triazole
CID 115394976
N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 106304244
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
4-amino-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylbutanamide
CID 106302459
2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-hydroxyguanidine
CID 106304216

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine (CID 62692789) is 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine is CCn1cnnc1CC(C)N.
What is the InChIKey of 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is BAZCUDUYINXJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4/c1-3-11-5-9-10-7(11)4-6(2)8/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine?
1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 154.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 62692789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).