1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

C15H19N5 — CID 102794393

IUPAC1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C3Cc4ccccc43)n2)C1
InChIInChI=1S/C15H19N5/c16-11-5-3-7-20(9-11)15-17-14(18-19-15)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9,16H2,(H,17,18,19)
InChIKeyIRFZMJWEOBMTAO-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.42
Rot. Bonds2

About 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine

1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (PubChem CID 102794393) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.

Molecular Properties

Compound Name1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
PubChem CID102794393
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
SMILESNC1CCCN(c2n[nH]c(C3Cc4ccccc43)n2)C1
InChIInChI=1S/C15H19N5/c16-11-5-3-7-20(9-11)15-17-14(18-19-15)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9,16H2,(H,17,18,19)
InChIKeyIRFZMJWEOBMTAO-UHFFFAOYSA-N
XLogP1.42
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine with MolForge

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Related Compounds

(3R)-1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]-3-methylpiperazine
CID 102797726
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]-2-methylpiperidin-3-amine
CID 102798713
1-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 102794256
1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-3-amine
CID 155290360
1-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794159
1-[5-(2-pyridin-2-ylethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794233
1-[5-(2-ethylphenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794281
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794449
1-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794324
1-[5-(2,3-difluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794171
1-[5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794329
1-[5-(2-chloro-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794407

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The IUPAC name of 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine (CID 102794393) is 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine.
What is the SMILES notation for 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The canonical SMILES for 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is NC1CCCN(c2n[nH]c(C3Cc4ccccc43)n2)C1.
What is the InChIKey of 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
The InChIKey is IRFZMJWEOBMTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-11-5-3-7-20(9-11)15-17-14(18-19-15)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13H,3,5,7-9,16H2,(H,17,18,19).
What are the key properties of 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine?
1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine has a molecular weight of 269.35 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine is sourced from PubChem (CID 102794393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).