1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

C9H18N4 — CID 61277333

IUPAC1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)n[nH]1
InChIInChI=1S/C9H18N4/c1-4-8-11-9(13-12-8)7(10)5-6(2)3/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyWDYRHTSPTOMITM-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.41
Rot. Bonds4

About 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine

1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (PubChem CID 61277333) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
PubChem CID61277333
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
SMILESCCc1nc(C(N)CC(C)C)n[nH]1
InChIInChI=1S/C9H18N4/c1-4-8-11-9(13-12-8)7(10)5-6(2)3/h6-7H,4-5,10H2,1-3H3,(H,11,12,13)
InChIKeyWDYRHTSPTOMITM-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2-[[(2R)-2-amino-2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]disulfanyl]-1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 90193582
ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
CID 153344049
[3-[(1R)-1-aminopropyl]-1H-1,2,4-triazol-5-yl]methanol
CID 125449176
1-(5-butyl-1H-1,2,4-triazol-3-yl)ethanamine
CID 79411817
N-[1-(5-ethyl-1H-1,2,4-triazol-3-yl)ethyl]-2-methylpentan-3-amine
CID 115897107
(S)-(5-ethyl-1H-1,2,4-triazol-3-yl)-(4-fluorophenyl)methanamine
CID 97287121
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)propan-2-amine
CID 61337752
5-(1-amino-3-methylbutyl)-1H-1,2,4-triazol-3-amine
CID 61320161
(1S,2S)-2-methyl-1-(5-propyl-1H-1,2,4-triazol-3-yl)butan-1-amine
CID 104900412
1-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
CID 50988205
5-ethyl-N-(2-hydroxy-4-methylpentyl)-1H-1,2,4-triazole-3-carboxamide
CID 107155420
[3-(1-ethoxyethyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 64534438

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The IUPAC name of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine (CID 61277333) is 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The canonical SMILES for 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine is CCc1nc(C(N)CC(C)C)n[nH]1.
What is the InChIKey of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
The InChIKey is WDYRHTSPTOMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-8-11-9(13-12-8)7(10)5-6(2)3/h6-7H,4-5,10H2,1-3H3,(H,11,12,13).
What are the key properties of 1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine?
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 1.41, 4 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)-3-methylbutan-1-amine is sourced from PubChem (CID 61277333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).