4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide

C13H18N6O — CID 81075886

IUPAC4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
SMILESCc1nnnn1-c1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C13H18N6O/c1-9(8-14)6-13(20)15-11-4-3-5-12(7-11)19-10(2)16-17-18-19/h3-5,7,9H,6,8,14H2,1-2H3,(H,15,20)
InChIKeyYMAXEPZMRSYQNB-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.89
Rot. Bonds5

About 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide

4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide (PubChem CID 81075886) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
PubChem CID81075886
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
SMILESCc1nnnn1-c1cccc(NC(=O)CC(C)CN)c1
InChIInChI=1S/C13H18N6O/c1-9(8-14)6-13(20)15-11-4-3-5-12(7-11)19-10(2)16-17-18-19/h3-5,7,9H,6,8,14H2,1-2H3,(H,15,20)
InChIKeyYMAXEPZMRSYQNB-UHFFFAOYSA-N
XLogP0.89
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
(2S)-2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 61178099
2-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43713354
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
2-methylsulfanyl-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 47329361
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The IUPAC name of 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide (CID 81075886) is 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide.
What is the SMILES notation for 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The canonical SMILES for 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide is Cc1nnnn1-c1cccc(NC(=O)CC(C)CN)c1.
What is the InChIKey of 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
The InChIKey is YMAXEPZMRSYQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-9(8-14)6-13(20)15-11-4-3-5-12(7-11)19-10(2)16-17-18-19/h3-5,7,9H,6,8,14H2,1-2H3,(H,15,20).
What are the key properties of 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide?
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide has a molecular weight of 274.33 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide is sourced from PubChem (CID 81075886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).