N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

C21H23N5 — CID 44631783

IUPACN-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NCC2CCCCC2)cc1
InChIInChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26)
InChIKeyFTHAFMYRINDSEL-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.59
Rot. Bonds5

About N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine

N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (PubChem CID 44631783) has the molecular formula C21H23N5 and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
PubChem CID44631783
Molecular FormulaC21H23N5
Molecular Weight345.45 g/mol
Exact Mass345.20
IUPAC NameN-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
SMILESc1ccc(-c2nnc(-c3ccccn3)nc2NCC2CCCCC2)cc1
InChIInChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26)
InChIKeyFTHAFMYRINDSEL-UHFFFAOYSA-N
XLogP4.59
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The IUPAC name of N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine (CID 44631783) is N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The canonical SMILES for N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is c1ccc(-c2nnc(-c3ccccn3)nc2NCC2CCCCC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
The InChIKey is FTHAFMYRINDSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5/c1-3-9-16(10-4-1)15-23-21-19(17-11-5-2-6-12-17)25-26-20(24-21)18-13-7-8-14-22-18/h2,5-8,11-14,16H,1,3-4,9-10,15H2,(H,23,24,26).
What are the key properties of N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine?
N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine has a molecular weight of 345.45 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine is sourced from PubChem (CID 44631783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).