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

C8H16N4 — CID 145001387

IUPAC2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane
SMILESC.CC/C=C\n1nc(C)nc1N
InChIInChI=1S/C7H12N4.CH4/c1-3-4-5-11-7(8)9-6(2)10-11;/h4-5H,3H2,1-2H3,(H2,8,9,10);1H4/b5-4-;
InChIKeyKQUYGSNLFDAZDK-MKWAYWHRSA-N
MW168.24 g/mol
LogP1.69
Rot. Bonds2

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

2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane (PubChem CID 145001387) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane.

Molecular Properties

Compound Name2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane
PubChem CID145001387
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane
SMILESC.CC/C=C\n1nc(C)nc1N
InChIInChI=1S/C7H12N4.CH4/c1-3-4-5-11-7(8)9-6(2)10-11;/h4-5H,3H2,1-2H3,(H2,8,9,10);1H4/b5-4-;
InChIKeyKQUYGSNLFDAZDK-MKWAYWHRSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

4-But-1-enyl-1,5-dimethyl-1,2,4-triazol-4-ium-3-thiolate
CID 69991490
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
N,N,5-trimethyl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-amine
CID 130248507
2-[(Z)-2-aminoethenyl]-5-methyl-1,2,4-triazol-3-amine
CID 134334535
9-Methyl-1,6,8,10-tetrazabicyclo[5.3.0]deca-2,4,5,7,9-pentaene
CID 134578065
2-[(1Z)-buta-1,3-dienyl]-5-methyl-1,2,4-triazol-3-amine
CID 134578471
2-Methyl-4,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136134153
N-[5-propan-2-yl-2-[(Z)-prop-1-enyl]-1,2,4-triazol-3-yl]methanimine
CID 137413514
1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine
CID 139385890

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane?
The IUPAC name of 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane (CID 145001387) is 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane.
What is the SMILES notation for 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane?
The canonical SMILES for 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane is C.CC/C=C\n1nc(C)nc1N.
What is the InChIKey of 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane?
The InChIKey is KQUYGSNLFDAZDK-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H12N4.CH4/c1-3-4-5-11-7(8)9-6(2)10-11;/h4-5H,3H2,1-2H3,(H2,8,9,10);1H4/b5-4-;.
What are the key properties of 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane?
2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane has a molecular weight of 168.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-1-enyl]-5-methyl-1,2,4-triazol-3-amine;methane is sourced from PubChem (CID 145001387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).