4,5-dimethyl-1,2,4-triazol-3-amine;ethane

C6H14N4 — CID 143643791

IUPAC4,5-dimethyl-1,2,4-triazol-3-amine;ethane
SMILESCC.Cc1nnc(N)n1C
InChIInChI=1S/C4H8N4.C2H6/c1-3-6-7-4(5)8(3)2;1-2/h1-2H3,(H2,5,7);1-2H3
InChIKeyJTWDNEBKSJNDPC-UHFFFAOYSA-N
MW142.21 g/mol
LogP0.73
Rot. Bonds

About 4,5-dimethyl-1,2,4-triazol-3-amine;ethane

4,5-dimethyl-1,2,4-triazol-3-amine;ethane (PubChem CID 143643791) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 4,5-dimethyl-1,2,4-triazol-3-amine;ethane.

Molecular Properties

Compound Name4,5-dimethyl-1,2,4-triazol-3-amine;ethane
PubChem CID143643791
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name4,5-dimethyl-1,2,4-triazol-3-amine;ethane
SMILESCC.Cc1nnc(N)n1C
InChIInChI=1S/C4H8N4.C2H6/c1-3-6-7-4(5)8(3)2;1-2/h1-2H3,(H2,5,7);1-2H3
InChIKeyJTWDNEBKSJNDPC-UHFFFAOYSA-N
XLogP0.73
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
3,4-dimethyl-4H-1,2,4-triazole
CID 12217053
Phosphonic diamide, (5-amino-3-methyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060553
(4-methyl-4H-1,2,4-triazol-3-yl)methanamine
CID 21744036
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
Phosphonothioic diamide, (5-amino-3-methyl-1H-1,2,4-triazol-1-yl)-N,N,N',N'-tetramethyl
CID 3060558
4H-1,2,4-Triazole, 3-bromo-4,5-dimethyl-
CID 143389
3-chloro-4,5-dimethyl-4H-1,2,4-triazole
CID 143390
dimethyl-4H-1,2,4-triazol-3-amine hydroiodide
CID 12252711
5-Ethyl-1-methyl-1H-1,2,4-triazol-3-amine
CID 12523007
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine
CID 28064235
(dimethyl-4H-1,2,4-triazol-3-yl)methanamine
CID 43524624

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-1,2,4-triazol-3-amine;ethane?
The IUPAC name of 4,5-dimethyl-1,2,4-triazol-3-amine;ethane (CID 143643791) is 4,5-dimethyl-1,2,4-triazol-3-amine;ethane.
What is the SMILES notation for 4,5-dimethyl-1,2,4-triazol-3-amine;ethane?
The canonical SMILES for 4,5-dimethyl-1,2,4-triazol-3-amine;ethane is CC.Cc1nnc(N)n1C.
What is the InChIKey of 4,5-dimethyl-1,2,4-triazol-3-amine;ethane?
The InChIKey is JTWDNEBKSJNDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4.C2H6/c1-3-6-7-4(5)8(3)2;1-2/h1-2H3,(H2,5,7);1-2H3.
What are the key properties of 4,5-dimethyl-1,2,4-triazol-3-amine;ethane?
4,5-dimethyl-1,2,4-triazol-3-amine;ethane has a molecular weight of 142.21 g/mol, XLogP of 0.73, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1,2,4-triazol-3-amine;ethane is sourced from PubChem (CID 143643791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).