N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

C21H24N4O2 — CID 56881683

IUPACN-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C21H24N4O2/c26-20(22-15-21(27)11-4-1-5-12-21)19-14-25(24-23-19)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10,14,27H,1,4-5,11-13,15H2,(H,22,26)
InChIKeyQCBUTVNKSPZQNW-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.90
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (PubChem CID 56881683) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
PubChem CID56881683
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)c1cn(Cc2cccc3ccccc23)nn1
InChIInChI=1S/C21H24N4O2/c26-20(22-15-21(27)11-4-1-5-12-21)19-14-25(24-23-19)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10,14,27H,1,4-5,11-13,15H2,(H,22,26)
InChIKeyQCBUTVNKSPZQNW-UHFFFAOYSA-N
XLogP2.90
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(dimethylamino)cyclohexyl]methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42213389
N-[(1-hydroxycycloheptyl)methyl]-1-phenyltriazole-4-carboxamide
CID 111433180
methyl 4-[[1-(naphthalen-1-ylmethyl)triazole-4-carbonyl]amino]butanoate
CID 42215304
N-(2-adamantyl)-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 25371189
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 56836487
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 42358241
1-chloro-N-[(1-hydroxycyclopentyl)methyl]isoquinoline-3-carboxamide
CID 65107488
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 45204441
2-(1-hydroxycyclopentyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 111536548
1-(naphthalen-1-ylmethyl)-N-[(2S)-4-pyrazol-1-ylbutan-2-yl]triazole-4-carboxamide
CID 25488403
N,1-bis[(2-chlorophenyl)methyl]triazole-4-carboxamide
CID 42594376
1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide (CID 56881683) is N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is O=C(NCC1(O)CCCCC1)c1cn(Cc2cccc3ccccc23)nn1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
The InChIKey is QCBUTVNKSPZQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-20(22-15-21(27)11-4-1-5-12-21)19-14-25(24-23-19)13-17-9-6-8-16-7-2-3-10-18(16)17/h2-3,6-10,14,27H,1,4-5,11-13,15H2,(H,22,26).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 56881683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).