N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

C14H20N6O — CID 119584047

IUPACN-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C)C(C)CN)n2)cc1
InChIInChI=1S/C14H20N6O/c1-10-4-6-12(7-5-10)14-16-18-20(17-14)9-13(21)19(3)11(2)8-15/h4-7,11H,8-9,15H2,1-3H3
InChIKeyIAIPWKAZOLVEHY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.45
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide

N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 119584047) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID119584047
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccc(-c2nnn(CC(=O)N(C)C(C)CN)n2)cc1
InChIInChI=1S/C14H20N6O/c1-10-4-6-12(7-5-10)14-16-18-20(17-14)9-13(21)19(3)11(2)8-15/h4-7,11H,8-9,15H2,1-3H3
InChIKeyIAIPWKAZOLVEHY-UHFFFAOYSA-N
XLogP0.45
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide (CID 119584047) is N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccc(-c2nnn(CC(=O)N(C)C(C)CN)n2)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is IAIPWKAZOLVEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-4-6-12(7-5-10)14-16-18-20(17-14)9-13(21)19(3)11(2)8-15/h4-7,11H,8-9,15H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide?
N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 288.35 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-2-[5-(4-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 119584047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).