1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine

C15H21N5 — CID 145426367

IUPAC1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine
SMILESC=Cc1nc(N)nn1C(=C)C1=CC=C(CC(C)N)CC1
InChIInChI=1S/C15H21N5/c1-4-14-18-15(17)19-20(14)11(3)13-7-5-12(6-8-13)9-10(2)16/h4-5,7,10H,1,3,6,8-9,16H2,2H3,(H2,17,19)
InChIKeyMLECHXIFXYQJGB-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.36
Rot. Bonds5

About 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine

1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine (PubChem CID 145426367) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine
PubChem CID145426367
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine
SMILESC=Cc1nc(N)nn1C(=C)C1=CC=C(CC(C)N)CC1
InChIInChI=1S/C15H21N5/c1-4-14-18-15(17)19-20(14)11(3)13-7-5-12(6-8-13)9-10(2)16/h4-5,7,10H,1,3,6,8-9,16H2,2H3,(H2,17,19)
InChIKeyMLECHXIFXYQJGB-UHFFFAOYSA-N
XLogP2.36
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

(Z,1E)-5-[1-[(Z)-but-2-en-2-yl]-5-prop-1-en-2-yl-1,2,4-triazol-3-yl]-1-cyclohexa-2,4-dien-1-ylidene-2-methylpent-2-en-3-amine
CID 139459227
ethane;2-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-1,8a-dihydroquinoline
CID 142265870
[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine;ethane
CID 143344509
1-[1-[4-(2-Aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine;ethane
CID 145426366
[1-[(4Z)-3,6-dimethylideneocta-4,7-dien-4-yl]-5-methyl-1,2,4-triazol-3-yl]methanamine
CID 143344510

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine (CID 145426367) is 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine is C=Cc1nc(N)nn1C(=C)C1=CC=C(CC(C)N)CC1.
What is the InChIKey of 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine?
The InChIKey is MLECHXIFXYQJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-4-14-18-15(17)19-20(14)11(3)13-7-5-12(6-8-13)9-10(2)16/h4-5,7,10H,1,3,6,8-9,16H2,2H3,(H2,17,19).
What are the key properties of 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine?
1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine has a molecular weight of 271.37 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-aminopropyl)cyclohexa-1,3-dien-1-yl]ethenyl]-5-ethenyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 145426367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).