[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine

C8H14N4 — CID 115451878

IUPAC[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
SMILESCCc1nc(C2(CN)CC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-2-6-10-7(12-11-6)8(5-9)3-4-8/h2-5,9H2,1H3,(H,10,11,12)
InChIKeyQCUDLVUYEOBURR-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.36
Rot. Bonds3

About [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine

[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine (PubChem CID 115451878) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
PubChem CID115451878
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
SMILESCCc1nc(C2(CN)CC2)n[nH]1
InChIInChI=1S/C8H14N4/c1-2-6-10-7(12-11-6)8(5-9)3-4-8/h2-5,9H2,1H3,(H,10,11,12)
InChIKeyQCUDLVUYEOBURR-UHFFFAOYSA-N
XLogP0.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(3-methylpyrrolidin-3-yl)-1H-1,2,4-triazole
CID 63145341
[1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)cyclobutyl]methanamine
CID 115447053
[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 116779554
[1-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)cyclohexyl]methanamine
CID 115437062
[1-(5-methyl-2H-triazol-4-yl)cyclopropyl]methanamine
CID 96635679
4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]oxan-4-ol
CID 139026545
2-[1-(2-ethyl-5-methyl-1H-imidazol-4-yl)cyclopropyl]ethanamine
CID 82401668
4-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclohexan-1-amine
CID 61279978
[1-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450843
[1-(2-ethyltetrazol-5-yl)cyclopropyl]methanamine
CID 84765252
[1-(5-hexyl-1H-1,2,4-triazol-3-yl)-4-methylpiperidin-4-yl]methanamine
CID 102800942
2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 115431364

Frequently Asked Questions

What is the IUPAC name of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
The IUPAC name of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine (CID 115451878) is [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
The canonical SMILES for [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine is CCc1nc(C2(CN)CC2)n[nH]1.
What is the InChIKey of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
The InChIKey is QCUDLVUYEOBURR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-2-6-10-7(12-11-6)8(5-9)3-4-8/h2-5,9H2,1H3,(H,10,11,12).
What are the key properties of [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine?
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine is sourced from PubChem (CID 115451878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).