N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide

C11H13N5O — CID 5297177

IUPACN-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCc1cccc(NC(=O)CCn2cnnn2)c1
InChIInChI=1S/C11H13N5O/c1-9-3-2-4-10(7-9)13-11(17)5-6-16-8-12-14-15-16/h2-4,7-8H,5-6H2,1H3,(H,13,17)
InChIKeyKBONDIPTLPBXHU-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.01
Rot. Bonds4

About N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide

N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide (PubChem CID 5297177) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide
PubChem CID5297177
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC NameN-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide
SMILESCc1cccc(NC(=O)CCn2cnnn2)c1
InChIInChI=1S/C11H13N5O/c1-9-3-2-4-10(7-9)13-11(17)5-6-16-8-12-14-15-16/h2-4,7-8H,5-6H2,1H3,(H,13,17)
InChIKeyKBONDIPTLPBXHU-UHFFFAOYSA-N
XLogP1.01
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide?
The IUPAC name of N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide (CID 5297177) is N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide?
The canonical SMILES for N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide is Cc1cccc(NC(=O)CCn2cnnn2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide?
The InChIKey is KBONDIPTLPBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-9-3-2-4-10(7-9)13-11(17)5-6-16-8-12-14-15-16/h2-4,7-8H,5-6H2,1H3,(H,13,17).
What are the key properties of N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide?
N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide has a molecular weight of 231.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(tetrazol-1-yl)propanamide is sourced from PubChem (CID 5297177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).