ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole

C13H19N3 — CID 143262809

IUPACethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole
SMILESC=C.C=C/C=C(\C=C/C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H15N3.C2H4/c1-4-6-10(7-5-2)8-11-12-9(3)13-14-11;1-2/h4-7H,1,8H2,2-3H3,(H,12,13,14);1-2H2/b7-5-,10-6+;
InChIKeyNNPBZKZFBJWLNC-RQLYHSFASA-N
MW217.32 g/mol
LogP3.15
Rot. Bonds4

About ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole

ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole (PubChem CID 143262809) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Nameethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole
PubChem CID143262809
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Nameethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole
SMILESC=C.C=C/C=C(\C=C/C)Cc1n[nH]c(C)n1
InChIInChI=1S/C11H15N3.C2H4/c1-4-6-10(7-5-2)8-11-12-9(3)13-14-11;1-2/h4-7H,1,8H2,2-3H3,(H,12,13,14);1-2H2/b7-5-,10-6+;
InChIKeyNNPBZKZFBJWLNC-RQLYHSFASA-N
XLogP3.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

potassium 5-methyl-3-[4-(trifluoromethyl)benzene-6-id-1-yl]-1H-1,2,4-triazole
CID 58163045
5-(cyclopenta-1,3-dien-1-ylmethyl)-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 100978616
5-(cyclohex-1-en-1-ylmethyl)-3-cyclopropyl-1H-1,2,4-triazole
CID 50949396
3-cyclohexa-1,5-dien-1-yl-5-propan-2-yl-1H-1,2,4-triazole
CID 17946487
3-cyclopropyl-5-prop-2-enyl-1H-1,2,4-triazole
CID 58549923
5-(5-methyl-1H-1,2,4-triazol-3-yl)-2H-pyridin-2-ide;1,2,3,4,5-pentamethylbenzene-6-ide;tungsten(2+)
CID 59252448
4-(3-pentyl-1H-1,2,4-triazol-5-yl)but-2-enenitrile
CID 67753984
3,5-bis(prop-2-enyl)-1H-1,2,4-triazole
CID 67867832
3-cyclohexa-2,4-dien-1-yl-5-methyl-1H-1,2,4-triazole
CID 70331206
3-cyclohexa-2,4-dien-1-yl-5-ethyl-1H-1,2,4-triazole
CID 70334651
5-methyl-3-[(3E,5Z)-2-methylhepta-3,5-dien-3-yl]-1H-1,2,4-triazole
CID 88947372
3-hex-5-en-2-yl-5-methyl-1H-1,2,4-triazole
CID 88985313

Frequently Asked Questions

What is the IUPAC name of ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole?
The IUPAC name of ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole (CID 143262809) is ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole.
What is the SMILES notation for ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole?
The canonical SMILES for ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole is C=C.C=C/C=C(\C=C/C)Cc1n[nH]c(C)n1.
What is the InChIKey of ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole?
The InChIKey is NNPBZKZFBJWLNC-RQLYHSFASA-N. The full InChI is InChI=1S/C11H15N3.C2H4/c1-4-6-10(7-5-2)8-11-12-9(3)13-14-11;1-2/h4-7H,1,8H2,2-3H3,(H,12,13,14);1-2H2/b7-5-,10-6+;.
What are the key properties of ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole?
ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole has a molecular weight of 217.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;5-methyl-3-[(2Z)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]-1H-1,2,4-triazole is sourced from PubChem (CID 143262809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).