ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine

C8H16N4 — CID 145001555

IUPACethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
SMILESC/C=C\n1nc(C)nc1N.CC
InChIInChI=1S/C6H10N4.C2H6/c1-3-4-10-6(7)8-5(2)9-10;1-2/h3-4H,1-2H3,(H2,7,8,9);1-2H3/b4-3-;
InChIKeyPMHWHLHXDHNFPM-LNKPDPKZSA-N
MW168.24 g/mol
LogP1.69
Rot. Bonds1

About ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine

ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine (PubChem CID 145001555) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Nameethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
PubChem CID145001555
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Nameethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
SMILESC/C=C\n1nc(C)nc1N.CC
InChIInChI=1S/C6H10N4.C2H6/c1-3-4-10-6(7)8-5(2)9-10;1-2/h3-4H,1-2H3,(H2,7,8,9);1-2H3/b4-3-;
InChIKeyPMHWHLHXDHNFPM-LNKPDPKZSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Pentyl-1-prop-2-enyl-1,2,4-triazol-3-amine
CID 66821363
1,5-Bis(ethenyl)-3-methyl-1,2,4-triazole
CID 70225297
6-bromo-5H-[1,2,4]triazolo[1,5-c]pyrimidin-2-amine
CID 87479583
5-ethenyl-1-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 90201343
5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 90299134
N-[5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 118674821
N,5-dimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 118675366
N-(5-methyl-2-prop-1-enyl-1,2,4-triazol-3-yl)methanimine
CID 123617120
1-Buta-1,3-dienyl-5-methyl-1,2,4-triazole
CID 123844108
N-[(Z)-2-(2,5-dimethyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 126658881
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 130248507
N-[(Z)-2-(2-methyl-1,2,4-triazol-3-yl)ethenyl]methanimine
CID 132062339

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The IUPAC name of ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine (CID 145001555) is ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The canonical SMILES for ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine is C/C=C\n1nc(C)nc1N.CC.
What is the InChIKey of ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
The InChIKey is PMHWHLHXDHNFPM-LNKPDPKZSA-N. The full InChI is InChI=1S/C6H10N4.C2H6/c1-3-4-10-6(7)8-5(2)9-10;1-2/h3-4H,1-2H3,(H2,7,8,9);1-2H3/b4-3-;.
What are the key properties of ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine?
ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine has a molecular weight of 168.24 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 145001555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).