N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide

C17H24N6O2 — CID 128991055

IUPACN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)cn1
InChIInChI=1S/C17H24N6O2/c1-11-8-19-13(9-18-11)16(24)20-12-6-4-5-7-14(12)23-10-15(21-22-23)17(2,3)25/h8-10,12,14,25H,4-7H2,1-3H3,(H,20,24)/t12-,14+/m0/s1
InChIKeyADKGUBUGPZERBW-GXTWGEPZSA-N
MW344.42 g/mol
LogP1.52
Rot. Bonds4

About N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide

N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide (PubChem CID 128991055) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide
PubChem CID128991055
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)cn1
InChIInChI=1S/C17H24N6O2/c1-11-8-19-13(9-18-11)16(24)20-12-6-4-5-7-14(12)23-10-15(21-22-23)17(2,3)25/h8-10,12,14,25H,4-7H2,1-3H3,(H,20,24)/t12-,14+/m0/s1
InChIKeyADKGUBUGPZERBW-GXTWGEPZSA-N
XLogP1.52
TPSA105.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 128993823
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-3-methylthiophene-2-carboxamide
CID 128994036
3-hydroxy-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-4-methylpentanamide
CID 128965162
5-methyl-N-[(1R,2R)-2-methylcyclohexyl]pyrazine-2-carboxamide
CID 2677173
2-(cyclohexen-1-yl)-N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]acetamide
CID 128991297
2-[1-[(1R,2S)-2-[(2-methyl-3-pyridinyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128995082
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-5-methylpyrazine-2-carboxamide
CID 51969442
2-[1-[(1R,2S)-2-[(3-methylimidazol-4-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 154754187
2-[1-[(1R,2S)-2-[(1-cyclopropyltetrazol-5-yl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128992173
2-[1-[(1R,2S)-2-[(2-chlorophenyl)methylamino]cyclohexyl]triazol-4-yl]propan-2-ol
CID 128991574
N-[(3R,4R)-1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl]-5-methylpyrazine-2-carboxamide
CID 52872099
N-[(1R,2R)-2-ethylsulfanylcyclopentyl]-5-methylpyrazine-2-carboxamide
CID 96526700

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide (CID 128991055) is N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N[C@H]2CCCC[C@H]2n2cc(C(C)(C)O)nn2)cn1.
What is the InChIKey of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is ADKGUBUGPZERBW-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-8-19-13(9-18-11)16(24)20-12-6-4-5-7-14(12)23-10-15(21-22-23)17(2,3)25/h8-10,12,14,25H,4-7H2,1-3H3,(H,20,24)/t12-,14+/m0/s1.
What are the key properties of N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide?
N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]cyclohexyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 128991055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).