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

C9H18N4 — CID 115431380

IUPAC2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nncn1C
InChIInChI=1S/C9H18N4/c1-4-9(5-2,6-10)8-12-11-7-13(8)3/h7H,4-6,10H2,1-3H3
InChIKeyCECVWJABARKMMQ-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.83
Rot. Bonds4

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

2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 115431380) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID115431380
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Name2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCC(CC)(CN)c1nncn1C
InChIInChI=1S/C9H18N4/c1-4-9(5-2,6-10)8-12-11-7-13(8)3/h7H,4-6,10H2,1-3H3
InChIKeyCECVWJABARKMMQ-UHFFFAOYSA-N
XLogP0.83
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 62693883
ethyl 2-methyl-2-(4-methyl-1,2,4-triazol-3-yl)propanoate
CID 79471711
(2R)-2-methyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 122630481
4-methyl-4-(4-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 131183317
3-amino-2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 131071167
2,2-dimethyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butan-1-amine
CID 65248710
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]butan-1-amine
CID 81072054
2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
CID 130758261
2-ethyl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)butan-1-amine
CID 113308654
2-amino-1-(4-methyl-1,2,4-triazol-3-yl)ethanol
CID 66166308
2-(4-methyl-1,2,4-triazol-3-yl)propan-1-amine;dihydrochloride
CID 75493399

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine (CID 115431380) is 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine is CCC(CC)(CN)c1nncn1C.
What is the InChIKey of 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is CECVWJABARKMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-4-9(5-2,6-10)8-12-11-7-13(8)3/h7H,4-6,10H2,1-3H3.
What are the key properties of 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine?
2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 182.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(4-methyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 115431380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).