N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

C16H20N4O2 — CID 111460488

IUPACN-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1CCCC(O)C1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H20N4O2/c21-15-3-1-2-12(8-15)9-18-16(22)13-4-6-14(7-5-13)20-11-17-10-19-20/h4-7,10-12,15,21H,1-3,8-9H2,(H,18,22)
InChIKeyLDPSVVISUYJPEA-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.55
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 111460488) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID111460488
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1CCCC(O)C1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C16H20N4O2/c21-15-3-1-2-12(8-15)9-18-16(22)13-4-6-14(7-5-13)20-11-17-10-19-20/h4-7,10-12,15,21H,1-3,8-9H2,(H,18,22)
InChIKeyLDPSVVISUYJPEA-UHFFFAOYSA-N
XLogP1.55
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-1,1-dioxothiolan-3-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 94006565
1-[(3-hydroxycyclohexyl)methyl]-3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea
CID 111504113
N-(oxolan-2-ylmethyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 18160252
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
3,4-dihydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103957239
N-[(3-hydroxycyclohexyl)methyl]-6-methylpyridine-3-carboxamide
CID 103691279
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
N-[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-(1,2,4-triazol-1-yl)benzamide
CID 124743149
N-[(3-hydroxycyclohexyl)methyl]-3-phenylimidazole-4-carboxamide
CID 111459853
6-(dimethylamino)-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103690739
N-(cyclopropylmethyl)-3-methyl-4-(1,2,4-triazol-1-yl)benzamide
CID 166214673

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 111460488) is N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCC1CCCC(O)C1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LDPSVVISUYJPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-15-3-1-2-12(8-15)9-18-16(22)13-4-6-14(7-5-13)20-11-17-10-19-20/h4-7,10-12,15,21H,1-3,8-9H2,(H,18,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 111460488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).