(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine

C10H16N4 — CID 143413627

IUPAC(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine
SMILESCC/C=C(\C=C/CNC)n1cncn1
InChIInChI=1S/C10H16N4/c1-3-5-10(6-4-7-11-2)14-9-12-8-13-14/h4-6,8-9,11H,3,7H2,1-2H3/b6-4-,10-5+
InChIKeyIZRODUWUHFBQTL-KNVSICBPSA-N
MW192.27 g/mol
LogP1.30
Rot. Bonds5

About (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine

(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine (PubChem CID 143413627) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine
PubChem CID143413627
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine
SMILESCC/C=C(\C=C/CNC)n1cncn1
InChIInChI=1S/C10H16N4/c1-3-5-10(6-4-7-11-2)14-9-12-8-13-14/h4-6,8-9,11H,3,7H2,1-2H3/b6-4-,10-5+
InChIKeyIZRODUWUHFBQTL-KNVSICBPSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethenyl-2-(tetrazol-1-yl)-1H-pyridine
CID 122455653
1-Hepta-2,4-dien-3-yl-1,2,4-triazole
CID 123947835
1-[(2Z,4Z)-hepta-2,4-dienyl]-1,2,4-triazole
CID 126590348
1-[(3E)-2-methylhexa-1,3,5-trien-3-yl]-1,2,4-triazole
CID 134553219
1-[(2E,4Z,6Z)-6-ethylocta-2,4,6-trien-3-yl]-1,2,4-triazol-3-amine
CID 135233074
7-tert-butyl-5-methylidene-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137032467
5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137181789
1-[(1Z)-1-aminohepta-1,4,6-trien-3-yl]-3-N-methyl-1,2,4-triazole-3,5-diamine;ethane
CID 142899496
(Z)-N-(5-ethenyl-1,2-dihydropyridin-6-yl)butan-1-imine;1-methyl-1,2,4-triazole
CID 143020150
(4Z)-N-ethyl-6-methyl-3-methylidene-5-(5-methyl-1,2,4-triazol-1-yl)hepta-1,4,6-trien-2-amine
CID 143342785
(2E,4Z,7Z)-N-[(E)-but-1-enyl]-9-imino-6-methylidene-9-(1,2,4-triazol-1-yl)nona-2,4,7-trien-5-amine;ethane
CID 143915077
(2E)-4-(1,2,4-triazol-1-yl)octa-2,7-dien-1-amine
CID 143922029

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine?
The IUPAC name of (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine (CID 143413627) is (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine?
The canonical SMILES for (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine is CC/C=C(\C=C/CNC)n1cncn1.
What is the InChIKey of (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine?
The InChIKey is IZRODUWUHFBQTL-KNVSICBPSA-N. The full InChI is InChI=1S/C10H16N4/c1-3-5-10(6-4-7-11-2)14-9-12-8-13-14/h4-6,8-9,11H,3,7H2,1-2H3/b6-4-,10-5+.
What are the key properties of (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine?
(2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine has a molecular weight of 192.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N-methyl-4-(1,2,4-triazol-1-yl)hepta-2,4-dien-1-amine is sourced from PubChem (CID 143413627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).