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

C12H16N6O — CID 60842609

IUPAC4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H16N6O/c1-13-7-3-6-11(19)14-10-5-2-4-9(8-10)12-15-17-18-16-12/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyABTTXCADKQBNRK-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.80
Rot. Bonds6

About 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide

4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide (PubChem CID 60842609) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
PubChem CID60842609
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
SMILESCNCCCC(=O)Nc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C12H16N6O/c1-13-7-3-6-11(19)14-10-5-2-4-9(8-10)12-15-17-18-16-12/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,19)(H,15,16,17,18)
InChIKeyABTTXCADKQBNRK-UHFFFAOYSA-N
XLogP0.80
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propan-2-ylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 60852912
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
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-4-(methylamino)butanamide
CID 119763580
2-(1-hydroxycyclopentyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 111536432
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
5-[(3R)-dithiolan-3-yl]-N-[3-(2H-tetrazol-5-yl)phenyl]pentanamide
CID 95908828
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
4-(methylamino)-N-[3-(2-methylpyrimidin-4-yl)phenyl]butanamide
CID 119707129
ethyl N-[3-(2H-tetrazol-5-yl)phenyl]carbamate
CID 17164270
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 155946246
butyl 2-oxo-2-[3-(2H-tetrazol-5-yl)anilino]acetate
CID 5380

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide (CID 60842609) is 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide is CNCCCC(=O)Nc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
The InChIKey is ABTTXCADKQBNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-13-7-3-6-11(19)14-10-5-2-4-9(8-10)12-15-17-18-16-12/h2,4-5,8,13H,3,6-7H2,1H3,(H,14,19)(H,15,16,17,18).
What are the key properties of 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide?
4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide has a molecular weight of 260.30 g/mol, XLogP of 0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide is sourced from PubChem (CID 60842609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).