ethane;2-methyl-1,2,4-triazol-3-amine

C5H12N4 — CID 167473762

IUPACethane;2-methyl-1,2,4-triazol-3-amine
SMILESCC.Cn1ncnc1N
InChIInChI=1S/C3H6N4.C2H6/c1-7-3(4)5-2-6-7;1-2/h2H,1H3,(H2,4,5,6);1-2H3
InChIKeyAGZVRKSSTLOORU-UHFFFAOYSA-N
MW128.18 g/mol
LogP0.42
Rot. Bonds

About ethane;2-methyl-1,2,4-triazol-3-amine

ethane;2-methyl-1,2,4-triazol-3-amine (PubChem CID 167473762) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is ethane;2-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Nameethane;2-methyl-1,2,4-triazol-3-amine
PubChem CID167473762
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Nameethane;2-methyl-1,2,4-triazol-3-amine
SMILESCC.Cn1ncnc1N
InChIInChI=1S/C3H6N4.C2H6/c1-7-3(4)5-2-6-7;1-2/h2H,1H3,(H2,4,5,6);1-2H3
InChIKeyAGZVRKSSTLOORU-UHFFFAOYSA-N
XLogP0.42
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
4-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)aniline
CID 62696052
1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
CID 104602839
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
(2R)-2-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethanol
CID 90284000
1-(5-amino-1,2,4-triazol-1-yl)propan-1-one
CID 23272117
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 45490077
3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazin-2-amine
CID 102989027
2-[4-(2-methyl-1,2,4-triazol-3-yl)phenyl]ethanamine
CID 62694910
3,4-dimethylidene-5-(2-methyl-1,2,4-triazol-3-yl)pyridin-2-amine
CID 123878120

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,2,4-triazol-3-amine?
The IUPAC name of ethane;2-methyl-1,2,4-triazol-3-amine (CID 167473762) is ethane;2-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for ethane;2-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for ethane;2-methyl-1,2,4-triazol-3-amine is CC.Cn1ncnc1N.
What is the InChIKey of ethane;2-methyl-1,2,4-triazol-3-amine?
The InChIKey is AGZVRKSSTLOORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.C2H6/c1-7-3(4)5-2-6-7;1-2/h2H,1H3,(H2,4,5,6);1-2H3.
What are the key properties of ethane;2-methyl-1,2,4-triazol-3-amine?
ethane;2-methyl-1,2,4-triazol-3-amine has a molecular weight of 128.18 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 167473762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).