ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine

C6H14N4 — CID 144769727

IUPACethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCC.Cc1nc(CN)n[nH]1
InChIInChI=1S/C4H8N4.C2H6/c1-3-6-4(2-5)8-7-3;1-2/h2,5H2,1H3,(H,6,7,8);1-2H3
InChIKeyBDIHEWLUQOIDPU-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.60
Rot. Bonds1

About ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine

ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine (PubChem CID 144769727) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Nameethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
PubChem CID144769727
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Nameethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine
SMILESCC.Cc1nc(CN)n[nH]1
InChIInChI=1S/C4H8N4.C2H6/c1-3-6-4(2-5)8-7-3;1-2/h2,5H2,1H3,(H,6,7,8);1-2H3
InChIKeyBDIHEWLUQOIDPU-UHFFFAOYSA-N
XLogP0.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine 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

3-Amino-5-methyl-4H-1,2,4-triazole
CID 234610
2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
1H-1,2,4-Triazole, 3,5-dimethyl-
CID 139001
3,5-diethyl-1H-1,2,4-triazole
CID 15520387
3-(Beta-aminoethyl)-5-amino-1,2,4-triazole
CID 198348
3-ethyl-1H-1,2,4-triazol-5-amine
CID 1714204
1H-1,2,4-Triazole, 3-azido-5-methyl-
CID 135470574
5-Amino-N-methyl-1H-1,2,4-triazole-3-ethanamine
CID 657726
5-(aminomethyl)-1H-1,2,4-triazol-3-amine dihydrochloride
CID 53444473
2-(3,5-Dimethyl-1H-1,2,4-triazol-1-yl)ethan-1-amine
CID 6492581
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624
2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 50988180

Frequently Asked Questions

What is the IUPAC name of ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine (CID 144769727) is ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine is CC.Cc1nc(CN)n[nH]1.
What is the InChIKey of ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
The InChIKey is BDIHEWLUQOIDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C2H6/c1-3-6-4(2-5)8-7-3;1-2/h2,5H2,1H3,(H,6,7,8);1-2H3.
What are the key properties of ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine?
ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine has a molecular weight of 142.21 g/mol, XLogP of 0.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5-methyl-1H-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 144769727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).