1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine

C8H14N4 — CID 130987229

IUPAC1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
SMILESCCn1cnnc1CC1(N)CC1
InChIInChI=1S/C8H14N4/c1-2-12-6-10-11-7(12)5-8(9)3-4-8/h6H,2-5,9H2,1H3
InChIKeyHEQPEFQMRWFHIU-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.33
Rot. Bonds3

About 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine

1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine (PubChem CID 130987229) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
PubChem CID130987229
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
SMILESCCn1cnnc1CC1(N)CC1
InChIInChI=1S/C8H14N4/c1-2-12-6-10-11-7(12)5-8(9)3-4-8/h6H,2-5,9H2,1H3
InChIKeyHEQPEFQMRWFHIU-UHFFFAOYSA-N
XLogP0.33
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopentan-1-amine
CID 64670724
1-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine
CID 130987230
1-(4-ethyl-1,2,4-triazol-3-yl)cyclopentan-1-amine
CID 62694271
1-(4-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62692789
4-(4-ethyl-1,2,4-triazol-3-yl)oxan-4-amine
CID 115293381
1-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexan-1-amine
CID 64672298
2-[(4-ethyl-1,2,4-triazol-3-yl)methylimino]imidazolidine-4,5-dione
CID 136730496
N'-[(4-ethyl-1,2,4-triazol-3-yl)methyl]propanimidamide
CID 106304244
3-(cycloheptylmethyl)-4-ethyl-1,2,4-triazole
CID 114459441
2-(4-ethyl-1,2,4-triazol-3-yl)-N-methylethanamine
CID 62692798
2-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-hydroxyguanidine
CID 106304216
[1-(4-ethyl-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447062

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine (CID 130987229) is 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine is CCn1cnnc1CC1(N)CC1.
What is the InChIKey of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
The InChIKey is HEQPEFQMRWFHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-12-6-10-11-7(12)5-8(9)3-4-8/h6H,2-5,9H2,1H3.
What are the key properties of 1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine?
1-[(4-ethyl-1,2,4-triazol-3-yl)methyl]cyclopropan-1-amine has a molecular weight of 166.23 g/mol, XLogP of 0.33, 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)methyl]cyclopropan-1-amine is sourced from PubChem (CID 130987229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).