4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride

C13H19ClN6O — CID 120560652

IUPAC4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
SMILESCc1nnnn1-c1cccc(NC(=O)CCC(C)N)c1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-9(14)6-7-13(20)15-11-4-3-5-12(8-11)19-10(2)16-17-18-19;/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,20);1H
InChIKeyHAJWCDXBCDGNEL-UHFFFAOYSA-N
MW310.79 g/mol
LogP1.46
Rot. Bonds5

About 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride

4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride (PubChem CID 120560652) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
PubChem CID120560652
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC Name4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride
SMILESCc1nnnn1-c1cccc(NC(=O)CCC(C)N)c1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-9(14)6-7-13(20)15-11-4-3-5-12(8-11)19-10(2)16-17-18-19;/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,20);1H
InChIKeyHAJWCDXBCDGNEL-UHFFFAOYSA-N
XLogP1.46
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]heptanamide;hydrochloride
CID 119733067
4-amino-3-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]butanamide
CID 81075886
(2R)-2-amino-4-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104902927
5-chloro-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 43701560
(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-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]hexanamide
CID 60854574
5-amino-2-methyl-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 104684147
3-(cyclopropylamino)-N-[3-(5-methyltetrazol-1-yl)phenyl]propanamide
CID 60866406
3-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 81070653
2-(aminomethyl)-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide
CID 65230278
2-[2-[3-(5-methyltetrazol-1-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329417

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride (CID 120560652) is 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride is Cc1nnnn1-c1cccc(NC(=O)CCC(C)N)c1.Cl.
What is the InChIKey of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride?
The InChIKey is HAJWCDXBCDGNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.ClH/c1-9(14)6-7-13(20)15-11-4-3-5-12(8-11)19-10(2)16-17-18-19;/h3-5,8-9H,6-7,14H2,1-2H3,(H,15,20);1H.
What are the key properties of 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride?
4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(5-methyltetrazol-1-yl)phenyl]pentanamide;hydrochloride is sourced from PubChem (CID 120560652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).