N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide

C21H25N5O2 — CID 176985888

IUPACN-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
SMILESCc1cc(OC2CCC(NC(=O)c3cnc(C(C)C)nn3)CC2)ccc1C#N
InChIInChI=1S/C21H25N5O2/c1-13(2)20-23-12-19(25-26-20)21(27)24-16-5-8-17(9-6-16)28-18-7-4-15(11-22)14(3)10-18/h4,7,10,12-13,16-17H,5-6,8-9H2,1-3H3,(H,24,27)
InChIKeyUAEJZEUWYOYFBZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.30
Rot. Bonds5

About N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide

N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide (PubChem CID 176985888) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound NameN-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
PubChem CID176985888
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC NameN-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide
SMILESCc1cc(OC2CCC(NC(=O)c3cnc(C(C)C)nn3)CC2)ccc1C#N
InChIInChI=1S/C21H25N5O2/c1-13(2)20-23-12-19(25-26-20)21(27)24-16-5-8-17(9-6-16)28-18-7-4-15(11-22)14(3)10-18/h4,7,10,12-13,16-17H,5-6,8-9H2,1-3H3,(H,24,27)
InChIKeyUAEJZEUWYOYFBZ-UHFFFAOYSA-N
XLogP3.30
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

N-[4-(4-cyano-3-ethoxyphenoxy)cyclohexyl]-5-propan-2-ylpyrazine-2-carboxamide
CID 176985768
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-propan-2-ylpyridazine-3-carboxamide
CID 134414170
5-chloro-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155212260
5-chloro-N-[4-(4-cyano-3-methoxyphenoxy)cyclohexyl]pyridine-2-carboxamide
CID 176992974
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-5-chloropyrazine-2-carboxamide
CID 155219255
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrazine-2-carboxamide
CID 155218483
N-[3-(4-cyano-3-methylphenoxy)-2,2,4,4-tetramethylcyclobutyl]-5-propan-2-ylpyrazine-2-carboxamide;molecular hydrogen
CID 176982690
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-6-[4-[(4-hydroxypiperidin-1-yl)methyl]-3-methylpiperidin-1-yl]pyridazine-3-carboxamide
CID 176985420
N-[4-(3-bromo-4-cyanophenoxy)cyclohexyl]-1-methyltriazole-4-carboxamide
CID 155218830
5-bromo-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyrimidine-2-carboxamide
CID 155212972
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-5-[(4-methylcyclohexylidene)methyl]pyrazine-2-carboxamide
CID 166980965
N-[4-(4-cyano-3-fluorophenoxy)cyclohexyl]-5-[4-(4-methylbenzoyl)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 58073163

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide?
The IUPAC name of N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide (CID 176985888) is N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide?
The canonical SMILES for N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide is Cc1cc(OC2CCC(NC(=O)c3cnc(C(C)C)nn3)CC2)ccc1C#N.
What is the InChIKey of N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide?
The InChIKey is UAEJZEUWYOYFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(2)20-23-12-19(25-26-20)21(27)24-16-5-8-17(9-6-16)28-18-7-4-15(11-22)14(3)10-18/h4,7,10,12-13,16-17H,5-6,8-9H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide?
N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-cyano-3-methylphenoxy)cyclohexyl]-3-propan-2-yl-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 176985888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).