N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine

C17H26N6 — CID 544514

IUPACN,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine
SMILESc1cc(-c2nnn(C3CCCCC3)c2NC2CCCCC2)[nH]n1
InChIInChI=1S/C17H26N6/c1-3-7-13(8-4-1)19-17-16(15-11-12-18-20-15)21-22-23(17)14-9-5-2-6-10-14/h11-14,19H,1-10H2,(H,18,20)
InChIKeySEYSVSUOUHBPSD-UHFFFAOYSA-N
MW314.44 g/mol
LogP3.92
Rot. Bonds4

About N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine

N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine (PubChem CID 544514) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine.

Molecular Properties

Compound NameN,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine
PubChem CID544514
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine
SMILESc1cc(-c2nnn(C3CCCCC3)c2NC2CCCCC2)[nH]n1
InChIInChI=1S/C17H26N6/c1-3-7-13(8-4-1)19-17-16(15-11-12-18-20-15)21-22-23(17)14-9-5-2-6-10-14/h11-14,19H,1-10H2,(H,18,20)
InChIKeySEYSVSUOUHBPSD-UHFFFAOYSA-N
XLogP3.92
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine?
The IUPAC name of N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine (CID 544514) is N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine.
What is the SMILES notation for N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine?
The canonical SMILES for N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine is c1cc(-c2nnn(C3CCCCC3)c2NC2CCCCC2)[nH]n1.
What is the InChIKey of N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine?
The InChIKey is SEYSVSUOUHBPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-3-7-13(8-4-1)19-17-16(15-11-12-18-20-15)21-22-23(17)14-9-5-2-6-10-14/h11-14,19H,1-10H2,(H,18,20).
What are the key properties of N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine?
N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine has a molecular weight of 314.44 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dicyclohexyl-5-(1H-pyrazol-5-yl)triazol-4-amine is sourced from PubChem (CID 544514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).