(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine

C9H14N4 — CID 177020029

IUPAC(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(/C)c1n[nH]c(C)n1
InChIInChI=1S/C9H14N4/c1-5(7(3)10)6(2)9-11-8(4)12-13-9/h10H,1-4H3,(H,11,12,13)/b6-5-,10-7+
InChIKeyFMCBKQNYJHYIPV-ZZWPSLBBSA-N
MW178.24 g/mol
LogP1.95
Rot. Bonds2

About (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine

(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine (PubChem CID 177020029) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine
PubChem CID177020029
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(/C)c1n[nH]c(C)n1
InChIInChI=1S/C9H14N4/c1-5(7(3)10)6(2)9-11-8(4)12-13-9/h10H,1-4H3,(H,11,12,13)/b6-5-,10-7+
InChIKeyFMCBKQNYJHYIPV-ZZWPSLBBSA-N
XLogP1.95
TPSA65.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine?
The IUPAC name of (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine (CID 177020029) is (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine.
What is the SMILES notation for (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine?
The canonical SMILES for (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine is [H]/N=C(C)/C(C)=C(/C)c1n[nH]c(C)n1.
What is the InChIKey of (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine?
The InChIKey is FMCBKQNYJHYIPV-ZZWPSLBBSA-N. The full InChI is InChI=1S/C9H14N4/c1-5(7(3)10)6(2)9-11-8(4)12-13-9/h10H,1-4H3,(H,11,12,13)/b6-5-,10-7+.
What are the key properties of (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine?
(Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine has a molecular weight of 178.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-(5-methyl-1H-1,2,4-triazol-3-yl)pent-3-en-2-imine is sourced from PubChem (CID 177020029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).