4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid

C12H23N5O2 — CID 65290086

IUPAC4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid
SMILESCCCn1nnnc1CNCCC(C)CCC(=O)O
InChIInChI=1S/C12H23N5O2/c1-3-8-17-11(14-15-16-17)9-13-7-6-10(2)4-5-12(18)19/h10,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyFWLVSJDPGFQADM-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.06
Rot. Bonds10

About 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid

4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid (PubChem CID 65290086) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid
PubChem CID65290086
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid
SMILESCCCn1nnnc1CNCCC(C)CCC(=O)O
InChIInChI=1S/C12H23N5O2/c1-3-8-17-11(14-15-16-17)9-13-7-6-10(2)4-5-12(18)19/h10,13H,3-9H2,1-2H3,(H,18,19)
InChIKeyFWLVSJDPGFQADM-UHFFFAOYSA-N
XLogP1.06
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid?
The IUPAC name of 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid (CID 65290086) is 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid.
What is the SMILES notation for 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid?
The canonical SMILES for 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid is CCCn1nnnc1CNCCC(C)CCC(=O)O.
What is the InChIKey of 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid?
The InChIKey is FWLVSJDPGFQADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-3-8-17-11(14-15-16-17)9-13-7-6-10(2)4-5-12(18)19/h10,13H,3-9H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid?
4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid has a molecular weight of 269.35 g/mol, XLogP of 1.06, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(1-propyltetrazol-5-yl)methylamino]hexanoic acid is sourced from PubChem (CID 65290086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).