3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

C11H14N6O — CID 55104793

IUPAC3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(CN)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H14N6O/c1-7(6-12)11(18)13-9-4-2-3-8(5-9)10-14-16-17-15-10/h2-5,7H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyRCFHYMAPYYSOMY-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.40
Rot. Bonds4

About 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide

3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 55104793) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID55104793
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCC(CN)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H14N6O/c1-7(6-12)11(18)13-9-4-2-3-8(5-9)10-14-16-17-15-10/h2-5,7H,6,12H2,1H3,(H,13,18)(H,14,15,16,17)
InChIKeyRCFHYMAPYYSOMY-UHFFFAOYSA-N
XLogP0.40
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
3-amino-N-[3-(carbamoylamino)phenyl]-2-methylpropanamide
CID 62670686
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380
3-bromo-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17126994
3,4-dichloro-N-[3-(2H-tetrazol-5-yl)phenyl]benzamide
CID 17163668

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 55104793) is 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is CC(CN)C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is RCFHYMAPYYSOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(6-12)11(18)13-9-4-2-3-8(5-9)10-14-16-17-15-10/h2-5,7H,6,12H2,1H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 55104793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).