N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide

C13H15N5O2 — CID 136532075

IUPACN-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc3c(c2)nnn3C)C1
InChIInChI=1S/C13H15N5O2/c1-14-12(19)9-6-18(7-9)13(20)8-3-4-11-10(5-8)15-16-17(11)2/h3-5,9H,6-7H2,1-2H3,(H,14,19)
InChIKeyHMAIJAQXUTXANC-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.21
Rot. Bonds2

About N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide

N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide (PubChem CID 136532075) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
PubChem CID136532075
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide
SMILESCNC(=O)C1CN(C(=O)c2ccc3c(c2)nnn3C)C1
InChIInChI=1S/C13H15N5O2/c1-14-12(19)9-6-18(7-9)13(20)8-3-4-11-10(5-8)15-16-17(11)2/h3-5,9H,6-7H2,1-2H3,(H,14,19)
InChIKeyHMAIJAQXUTXANC-UHFFFAOYSA-N
XLogP-0.21
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-(1-methylbenzotriazole-5-carbonyl)morpholine-2-carboxylic acid
CID 125120375
1-(1-methylbenzotriazole-5-carbonyl)-N-phenylpiperidine-4-carboxamide
CID 20932872
N-(2-hydroxyphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 136516099
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 120744156
N-(2-ethylphenyl)-1-(1-methylbenzotriazole-5-carbonyl)piperidine-4-carboxamide
CID 20932851
[4-[(1R,2R)-2-hydroxycyclopentyl]piperazin-1-yl]-(1-methylbenzotriazol-5-yl)methanone
CID 96500738
(2-cyclobutylmorpholin-4-yl)-(1-methylbenzotriazol-5-yl)methanone
CID 128716633
3-[(3S)-1-(1-methylbenzotriazole-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124698579
(6S)-1-acetyl-4-(2H-benzotriazole-5-carbonyl)-N-methyl-1,4-diazepane-6-carboxamide
CID 125002621
2-methyl-1-(1-methylbenzotriazol-5-yl)propan-1-one
CID 112713248
N-(2-amino-1-cyclopropylethyl)-1-methylbenzotriazole-5-carboxamide;hydrochloride
CID 119612905
1-methyl-N-pyrrolidin-3-ylbenzotriazole-5-carboxamide
CID 119449625

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide?
The IUPAC name of N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide (CID 136532075) is N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide.
What is the SMILES notation for N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide?
The canonical SMILES for N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide is CNC(=O)C1CN(C(=O)c2ccc3c(c2)nnn3C)C1.
What is the InChIKey of N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide?
The InChIKey is HMAIJAQXUTXANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-14-12(19)9-6-18(7-9)13(20)8-3-4-11-10(5-8)15-16-17(11)2/h3-5,9H,6-7H2,1-2H3,(H,14,19).
What are the key properties of N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide?
N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide has a molecular weight of 273.30 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylbenzotriazole-5-carbonyl)azetidine-3-carboxamide is sourced from PubChem (CID 136532075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).