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

C10H20N4 — CID 115431364

IUPAC2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCc1nc(C(CC)(CC)CN)n[nH]1
InChIInChI=1S/C10H20N4/c1-4-8-12-9(14-13-8)10(5-2,6-3)7-11/h4-7,11H2,1-3H3,(H,12,13,14)
InChIKeyBMASFBIVEZQHJQ-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.38
Rot. Bonds5

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

2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 115431364) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID115431364
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCc1nc(C(CC)(CC)CN)n[nH]1
InChIInChI=1S/C10H20N4/c1-4-8-12-9(14-13-8)10(5-2,6-3)7-11/h4-7,11H2,1-3H3,(H,12,13,14)
InChIKeyBMASFBIVEZQHJQ-UHFFFAOYSA-N
XLogP1.38
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79471825
3-[3-(3-ethoxypentan-3-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116779606
3-[3-(2-ethoxybutan-2-yl)-1H-1,2,4-triazol-5-yl]propan-1-amine
CID 116779612
2-ethyl-2-(3-phenyl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 115431370
[1-(5-ethyl-1H-1,2,4-triazol-3-yl)cyclopropyl]methanamine
CID 115451878
1-(3-ethyl-1H-1,2,4-triazol-5-yl)-2-methylpropan-2-amine
CID 64672682
1-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-N-methylmethanamine
CID 82568991
ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
CID 153344049
2-ethyl-2-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115430648
(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
1-(5-ethyl-1H-1,2,4-triazol-3-yl)-3-methylbutan-1-amine
CID 61277333
ethyl 2-ethyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)butanoate
CID 79472355

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine (CID 115431364) is 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine is CCc1nc(C(CC)(CC)CN)n[nH]1.
What is the InChIKey of 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is BMASFBIVEZQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-8-12-9(14-13-8)10(5-2,6-3)7-11/h4-7,11H2,1-3H3,(H,12,13,14).
What are the key properties of 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine?
2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(5-ethyl-1H-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 115431364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).