N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C12H14N6O2 — CID 7465644

IUPACN-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCNC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H14N6O2/c1-8-3-5-9(6-4-8)11-15-17-18(16-11)7-10(19)14-12(20)13-2/h3-6H,7H2,1-2H3,(H2,13,14,19,20)
InChIKeySMQJULYTDRSPQQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.10
Rot. Bonds3

About N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 7465644) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID7465644
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCNC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1
InChIInChI=1S/C12H14N6O2/c1-8-3-5-9(6-4-8)11-15-17-18(16-11)7-10(19)14-12(20)13-2/h3-6H,7H2,1-2H3,(H2,13,14,19,20)
InChIKeySMQJULYTDRSPQQ-UHFFFAOYSA-N
XLogP0.10
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(methylcarbamoyl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
CID 7634824
ethyl N-[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]carbamate
CID 7713038
2-[5-(4-methylphenyl)tetrazol-2-yl]acetic acid
CID 701825
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 8825634
N-[(1R)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465586
N-[(1S)-1-(4-methylphenyl)propyl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465585
ethyl N-[2-[5-(4-bromophenyl)tetrazol-2-yl]acetyl]carbamate
CID 7490370
N-(2-iodophenyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 1303765
N-[(2S)-1-methoxypropan-2-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
CID 7465632
N-[[(2R)-butan-2-yl]carbamoyl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]acetamide
CID 7713348
N-[(2,3-dimethylphenyl)carbamoyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 26295234

Frequently Asked Questions

What is the IUPAC name of N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 7465644) is N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is CNC(=O)NC(=O)Cn1nnc(-c2ccc(C)cc2)n1.
What is the InChIKey of N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is SMQJULYTDRSPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c1-8-3-5-9(6-4-8)11-15-17-18(16-11)7-10(19)14-12(20)13-2/h3-6H,7H2,1-2H3,(H2,13,14,19,20).
What are the key properties of N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 274.28 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methylcarbamoyl)-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 7465644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).