N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C20H21N5 — CID 6404647

IUPACN-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NC2CCCCC2)cc1
InChIInChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)
InChIKeyLKAMDZUYTXTHDM-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.35
Rot. Bonds4

About N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 6404647) has the molecular formula C20H21N5 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID6404647
Molecular FormulaC20H21N5
Molecular Weight331.42 g/mol
Exact Mass331.18
IUPAC NameN-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NC2CCCCC2)cc1
InChIInChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25)
InChIKeyLKAMDZUYTXTHDM-UHFFFAOYSA-N
XLogP4.35
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 6404647) is N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is c1ccc(-c2nnc(-c3ccccn3)nc2NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is LKAMDZUYTXTHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5/c1-3-9-15(10-4-1)18-20(22-16-11-5-2-6-12-16)23-19(25-24-18)17-13-7-8-14-21-17/h1,3-4,7-10,13-14,16H,2,5-6,11-12H2,(H,22,23,25).
What are the key properties of N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 331.42 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 6404647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).