N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide

C15H18N4O2 — CID 122566145

IUPACN-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESCOCC1(CNC(=O)c2ccccc2-n2cnnc2)CC1
InChIInChI=1S/C15H18N4O2/c1-21-9-15(6-7-15)8-16-14(20)12-4-2-3-5-13(12)19-10-17-18-11-19/h2-5,10-11H,6-9H2,1H3,(H,16,20)
InChIKeyWDGFDMIQIYSFSA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.42
Rot. Bonds6

About N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide

N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide (PubChem CID 122566145) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
PubChem CID122566145
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide
SMILESCOCC1(CNC(=O)c2ccccc2-n2cnnc2)CC1
InChIInChI=1S/C15H18N4O2/c1-21-9-15(6-7-15)8-16-14(20)12-4-2-3-5-13(12)19-10-17-18-11-19/h2-5,10-11H,6-9H2,1H3,(H,16,20)
InChIKeyWDGFDMIQIYSFSA-UHFFFAOYSA-N
XLogP1.42
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888662
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methylbenzamide;hydrochloride
CID 120888347
2-chloro-N-[[1-(methoxymethyl)cyclopentyl]methyl]-3-methylbenzamide
CID 91774714
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyltriazole-4-carboxamide
CID 120887619
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-ylmethyl)benzamide
CID 120890077
2-benzyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120890613
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfanylbenzamide;hydrochloride
CID 120889312
2-(difluoromethylsulfanyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]benzamide
CID 120888588
2-fluoro-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-methylbenzamide
CID 120889901
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-methyl-3-(2-oxoimidazolidin-1-yl)benzamide;hydrochloride
CID 120891040
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 120891073
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 120890519

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide (CID 122566145) is N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide is COCC1(CNC(=O)c2ccccc2-n2cnnc2)CC1.
What is the InChIKey of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is WDGFDMIQIYSFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-21-9-15(6-7-15)8-16-14(20)12-4-2-3-5-13(12)19-10-17-18-11-19/h2-5,10-11H,6-9H2,1H3,(H,16,20).
What are the key properties of N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide?
N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 286.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methoxymethyl)cyclopropyl]methyl]-2-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 122566145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).