7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride

C15H23ClN6O — CID 119733067

IUPAC7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
SMILESCc1nnnn1-c1cccc(NC(=O)CCCCCCN)c1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-12-18-19-20-21(12)14-8-6-7-13(11-14)17-15(22)9-4-2-3-5-10-16;/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,22);1H
InChIKeyBFCJHGGJCXMXIQ-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.24
Rot. Bonds8

About 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride

7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride (PubChem CID 119733067) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
PubChem CID119733067
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
SMILESCc1nnnn1-c1cccc(NC(=O)CCCCCCN)c1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-12-18-19-20-21(12)14-8-6-7-13(11-14)17-15(22)9-4-2-3-5-10-16;/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,22);1H
InChIKeyBFCJHGGJCXMXIQ-UHFFFAOYSA-N
XLogP2.24
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
CID 120560652
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
4-(3-methylphenoxy)-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 55677152
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417
[3-(5-methyltetrazol-1-yl)phenyl]thiourea
CID 169356763
N-[3-(5-methyltetrazol-1-yl)phenyl]-3-(2-oxopiperidin-1-yl)propanamide
CID 131890339
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
2-(4-chlorophenyl)sulfonyl-N-[3-(5-methyltetrazol-1-yl)phenyl]acetamide
CID 55679296

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride (CID 119733067) is 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride is Cc1nnnn1-c1cccc(NC(=O)CCCCCCN)c1.Cl.
What is the InChIKey of 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride?
The InChIKey is BFCJHGGJCXMXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O.ClH/c1-12-18-19-20-21(12)14-8-6-7-13(11-14)17-15(22)9-4-2-3-5-10-16;/h6-8,11H,2-5,9-10,16H2,1H3,(H,17,22);1H.
What are the key properties of 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride?
7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride is sourced from PubChem (CID 119733067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).