N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide

C14H18N4O2 — CID 115759787

IUPACN-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H18N4O2/c1-18(9-14(20)6-2-3-7-14)13(19)10-4-5-11-12(8-10)16-17-15-11/h4-5,8,20H,2-3,6-7,9H2,1H3,(H,15,16,17)
InChIKeyFHGDOKBWOYPLML-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.34
Rot. Bonds3

About N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide

N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide (PubChem CID 115759787) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide
PubChem CID115759787
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C14H18N4O2/c1-18(9-14(20)6-2-3-7-14)13(19)10-4-5-11-12(8-10)16-17-15-11/h4-5,8,20H,2-3,6-7,9H2,1H3,(H,15,16,17)
InChIKeyFHGDOKBWOYPLML-UHFFFAOYSA-N
XLogP1.34
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2H-benzotriazole-5-carboxamide
CID 60740284
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 115760175
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
CID 114951144
N-benzyl-N-methyl-2H-benzotriazole-5-carboxamide
CID 25341525
N-[(1-hydroxycyclopentyl)methyl]-N-methylfuran-3-carboxamide
CID 115760185
1-N-tert-butyl-4-N-[(1-hydroxycyclopentyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 71910915
4-hydroxy-N-[(1-hydroxycyclopentyl)methyl]-N,2-dimethylbenzamide
CID 103867312
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,3,4-trimethylbenzamide
CID 114760455
N-methyl-N-(thiophen-3-ylmethyl)-2H-benzotriazole-5-carboxamide
CID 18126143
2-amino-6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 115760057
2-[2H-benzotriazole-5-carbonyl(methyl)amino]propanoic acid
CID 62626737
3,4-difluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 114760212

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide (CID 115759787) is N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide is CN(CC1(O)CCCC1)C(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide?
The InChIKey is FHGDOKBWOYPLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-18(9-14(20)6-2-3-7-14)13(19)10-4-5-11-12(8-10)16-17-15-11/h4-5,8,20H,2-3,6-7,9H2,1H3,(H,15,16,17).
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide?
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-N-methyl-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 115759787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).