(5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine

C10H16N4 — CID 143413741

IUPAC(5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine
SMILESC=CC(C/C=C(\C)n1cncn1)NC
InChIInChI=1S/C10H16N4/c1-4-10(11-3)6-5-9(2)14-8-12-7-13-14/h4-5,7-8,10-11H,1,6H2,2-3H3/b9-5+
InChIKeyNYMYIYHUURIAGP-WEVVVXLNSA-N
MW192.27 g/mol
LogP1.30
Rot. Bonds5

About (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine

(5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine (PubChem CID 143413741) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine.

Molecular Properties

Compound Name(5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine
PubChem CID143413741
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine
SMILESC=CC(C/C=C(\C)n1cncn1)NC
InChIInChI=1S/C10H16N4/c1-4-10(11-3)6-5-9(2)14-8-12-7-13-14/h4-5,7-8,10-11H,1,6H2,2-3H3/b9-5+
InChIKeyNYMYIYHUURIAGP-WEVVVXLNSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine;hydrochloride
CID 117763561
3-(1,2,4-Triazol-1-yl)cyclohex-2-en-1-amine
CID 117763562
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine;hydrochloride
CID 117763986
5,5-Dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 117763987
3-(1,2,4-Triazol-1-yl)cyclopent-2-en-1-amine
CID 121317437
6,6-Dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 121317558
1-[(2E,4Z,6Z)-6-ethylocta-2,4,6-trien-3-yl]-1,2,4-triazol-3-amine
CID 135233074
5,5,7-trimethyl-4H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 137181789
N,6,6-trimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 141424888
N-ethyl-5,5-dimethyl-3-(1,2,4-triazol-1-yl)cyclopent-2-en-1-amine
CID 141424897
N-ethyl-6,6-dimethyl-3-(1,2,4-triazol-1-yl)cyclohex-2-en-1-amine
CID 141424914
1-[(1Z)-1-aminohepta-1,4,6-trien-3-yl]-3-N-methyl-1,2,4-triazole-3,5-diamine;ethane
CID 142899496

Frequently Asked Questions

What is the IUPAC name of (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine?
The IUPAC name of (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine (CID 143413741) is (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine.
What is the SMILES notation for (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine?
The canonical SMILES for (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine is C=CC(C/C=C(\C)n1cncn1)NC.
What is the InChIKey of (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine?
The InChIKey is NYMYIYHUURIAGP-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H16N4/c1-4-10(11-3)6-5-9(2)14-8-12-7-13-14/h4-5,7-8,10-11H,1,6H2,2-3H3/b9-5+.
What are the key properties of (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine?
(5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-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 (5E)-N-methyl-6-(1,2,4-triazol-1-yl)hepta-1,5-dien-3-amine is sourced from PubChem (CID 143413741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).