N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine

C10H20N4 — CID 62566642

IUPACN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCn1nc(C)nc1C
InChIInChI=1S/C10H20N4/c1-4-5-6-11-7-8-14-10(3)12-9(2)13-14/h11H,4-8H2,1-3H3
InChIKeyXSNOCOKGIPTBGH-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.28
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine

N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine (PubChem CID 62566642) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine
PubChem CID62566642
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC NameN-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine
SMILESCCCCNCCn1nc(C)nc1C
InChIInChI=1S/C10H20N4/c1-4-5-6-11-7-8-14-10(3)12-9(2)13-14/h11H,4-8H2,1-3H3
InChIKeyXSNOCOKGIPTBGH-UHFFFAOYSA-N
XLogP1.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine
CID 62447718
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62567608
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 61387751
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-4-methylaniline
CID 62566821
(2S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethoxypropanamide
CID 126433222
4-chloro-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]aniline
CID 62566822
1,5-bis(3,5-dimethyl-1,2,4-triazol-1-yl)pentan-3-one
CID 174840503
3,5-dimethyl-1-(3-methylbut-3-enyl)-1,2,4-triazole
CID 130736693
N-butylbutan-1-amine;hydrochloride
CID 3083954
2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-N-ethylprop-2-en-1-amine
CID 103072093
N-[2-(2-methylimidazol-1-yl)ethyl]pentan-1-amine
CID 61492853
2-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethoxy]ethanamine
CID 103482322

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine (CID 62566642) is N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine is CCCCNCCn1nc(C)nc1C.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine?
The InChIKey is XSNOCOKGIPTBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-5-6-11-7-8-14-10(3)12-9(2)13-14/h11H,4-8H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine?
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine is sourced from PubChem (CID 62566642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).