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

C15H19N5O2 — CID 120948225

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCC1CNCC1O)c1ccccc1Cn1cncn1
InChIInChI=1S/C15H19N5O2/c21-14-7-16-5-12(14)6-18-15(22)13-4-2-1-3-11(13)8-20-10-17-9-19-20/h1-4,9-10,12,14,16,21H,5-8H2,(H,18,22)
InChIKeyCHXODMGXBJJVBI-UHFFFAOYSA-N
MW301.35 g/mol
LogP-0.36
Rot. Bonds5

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 120948225) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID120948225
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESO=C(NCC1CNCC1O)c1ccccc1Cn1cncn1
InChIInChI=1S/C15H19N5O2/c21-14-7-16-5-12(14)6-18-15(22)13-4-2-1-3-11(13)8-20-10-17-9-19-20/h1-4,9-10,12,14,16,21H,5-8H2,(H,18,22)
InChIKeyCHXODMGXBJJVBI-UHFFFAOYSA-N
XLogP-0.36
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119537563
N-(3-piperazin-1-ylpropyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 119394078
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
N-(2-methylpiperidin-3-yl)-2-(1,2,4-triazol-1-ylmethyl)benzamide;hydrochloride
CID 120577532
N-[(1S,3R)-3-cyclopropylcyclohexyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 96565837
2-[methyl-[2-(1,2,4-triazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119359245
N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846811
N-[(1R,2R)-2-cyclohexylcyclopropyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 97080048
N-(2-hydroxy-2,3-dimethylpentyl)-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 111477965
N-[(4-hydroxypyrrolidin-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;hydrochloride
CID 120947622
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide (CID 120948225) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is O=C(NCC1CNCC1O)c1ccccc1Cn1cncn1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is CHXODMGXBJJVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c21-14-7-16-5-12(14)6-18-15(22)13-4-2-1-3-11(13)8-20-10-17-9-19-20/h1-4,9-10,12,14,16,21H,5-8H2,(H,18,22).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 301.35 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 120948225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).