(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine

C10H16N4 — CID 146247684

IUPAC(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N(C)C)c1n[nH]c(C)n1
InChIInChI=1S/C10H16N4/c1-5-9(6-7-14(3)4)10-11-8(2)12-13-10/h5-7H,1-4H3,(H,11,12,13)/b7-6-,9-5+
InChIKeyYMCVBZNNYITSEW-QRLJIZSYSA-N
MW192.27 g/mol
LogP1.59
Rot. Bonds3

About (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine

(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine (PubChem CID 146247684) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine
PubChem CID146247684
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine
SMILESC/C=C(\C=C/N(C)C)c1n[nH]c(C)n1
InChIInChI=1S/C10H16N4/c1-5-9(6-7-14(3)4)10-11-8(2)12-13-10/h5-7H,1-4H3,(H,11,12,13)/b7-6-,9-5+
InChIKeyYMCVBZNNYITSEW-QRLJIZSYSA-N
XLogP1.59
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine?
The IUPAC name of (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine (CID 146247684) is (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine.
What is the SMILES notation for (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine?
The canonical SMILES for (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine is C/C=C(\C=C/N(C)C)c1n[nH]c(C)n1.
What is the InChIKey of (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine?
The InChIKey is YMCVBZNNYITSEW-QRLJIZSYSA-N. The full InChI is InChI=1S/C10H16N4/c1-5-9(6-7-14(3)4)10-11-8(2)12-13-10/h5-7H,1-4H3,(H,11,12,13)/b7-6-,9-5+.
What are the key properties of (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine?
(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine is sourced from PubChem (CID 146247684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).