1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine

C12H21N5 — CID 10466611

IUPAC1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCn1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-3-4-5-9-17-14-12(13-15-17)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
InChIKeyKXPXMBDYMQHOPI-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.58
Rot. Bonds5

About 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine

1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine (PubChem CID 10466611) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
PubChem CID10466611
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine
SMILESCCCCCn1nnc(C2=CCCN(C)C2)n1
InChIInChI=1S/C12H21N5/c1-3-4-5-9-17-14-12(13-15-17)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3
InChIKeyKXPXMBDYMQHOPI-UHFFFAOYSA-N
XLogP1.58
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine (CID 10466611) is 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine is CCCCCn1nnc(C2=CCCN(C)C2)n1.
What is the InChIKey of 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is KXPXMBDYMQHOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-4-5-9-17-14-12(13-15-17)11-7-6-8-16(2)10-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine?
1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 235.33 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-pentyltetrazol-5-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 10466611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).