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

C11H14N6O — CID 62639485

IUPAC2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H14N6O/c1-7(12-2)11(18)13-9-5-3-4-8(6-9)10-14-16-17-15-10/h3-7,12H,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyKRQINVPQXNVGFL-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.41
Rot. Bonds4

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

2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (PubChem CID 62639485) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
PubChem CID62639485
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
SMILESCNC(C)C(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H14N6O/c1-7(12-2)11(18)13-9-5-3-4-8(6-9)10-14-16-17-15-10/h3-7,12H,1-2H3,(H,13,18)(H,14,15,16,17)
InChIKeyKRQINVPQXNVGFL-UHFFFAOYSA-N
XLogP0.41
TPSA95.59 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 ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
(2S)-2-amino-3-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 61178824
3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 60842609
(2S)-2-(1-hydroxyethoxy)-N-[3-[5-(2H-tetrazol-5-yl)-1H-indazol-3-yl]phenyl]propanamide
CID 59982483
3-methyl-2-[3-(2H-tetrazol-5-yl)phenyl]-N-thiophen-3-ylbutanamide
CID 166311795
3-(ethylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62832165
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
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
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide (CID 62639485) is 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is CNC(C)C(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
The InChIKey is KRQINVPQXNVGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-7(12-2)11(18)13-9-5-3-4-8(6-9)10-14-16-17-15-10/h3-7,12H,1-2H3,(H,13,18)(H,14,15,16,17).
What are the key properties of 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide?
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide has a molecular weight of 246.27 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 62639485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).