(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine

C5H8N4 — CID 59967520

IUPAC(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
SMILESCc1nc(/C=C\N)n[nH]1
InChIInChI=1S/C5H8N4/c1-4-7-5(2-3-6)9-8-4/h2-3H,6H2,1H3,(H,7,8,9)/b3-2-
InChIKeyGGYVHQGQAPMFNU-IHWYPQMZSA-N
MW124.15 g/mol
LogP0.04
Rot. Bonds1

About (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine

(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine (PubChem CID 59967520) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine.

Molecular Properties

Compound Name(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
PubChem CID59967520
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
SMILESCc1nc(/C=C\N)n[nH]1
InChIInChI=1S/C5H8N4/c1-4-7-5(2-3-6)9-8-4/h2-3H,6H2,1H3,(H,7,8,9)/b3-2-
InChIKeyGGYVHQGQAPMFNU-IHWYPQMZSA-N
XLogP0.04
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(E)-prop-1-enyl]-1H-1,2,4-triazol-3-amine
CID 56979604
5-ethyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 57179090
3-ethenyl-5-methyl-1H-1,2,4-triazole
CID 58904785
N-[(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenyl]acetamide
CID 59967519
N-ethenyl-5-methyl-1H-1,2,4-triazol-3-amine
CID 89224126
5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine
CID 126569116
3-[(1Z)-buta-1,3-dienyl]-5-methyl-1H-1,2,4-triazole
CID 130374264
(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 142136410
5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 142136411
ethane;(E)-N-(methyldiazenyl)prop-1-en-1-amine;5-methyl-1H-1,2,4-triazole
CID 142961689
(E)-2-(5-methyl-1H-1,2,4-triazol-3-yl)prop-1-en-1-amine
CID 144159813
(E)-N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)prop-1-en-1-amine
CID 144160126

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine?
The IUPAC name of (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine (CID 59967520) is (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine.
What is the SMILES notation for (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine?
The canonical SMILES for (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine is Cc1nc(/C=C\N)n[nH]1.
What is the InChIKey of (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine?
The InChIKey is GGYVHQGQAPMFNU-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H8N4/c1-4-7-5(2-3-6)9-8-4/h2-3H,6H2,1H3,(H,7,8,9)/b3-2-.
What are the key properties of (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine?
(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine has a molecular weight of 124.15 g/mol, XLogP of 0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine is sourced from PubChem (CID 59967520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).