4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine

C11H16N6 — CID 114182237

IUPAC4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
SMILESCc1ccnc(-c2nnnn2CCCCN)c1
InChIInChI=1S/C11H16N6/c1-9-4-6-13-10(8-9)11-14-15-16-17(11)7-3-2-5-12/h4,6,8H,2-3,5,7,12H2,1H3
InChIKeyWMPMLKGEZXNUCK-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.78
Rot. Bonds5

About 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine

4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182237) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182237
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
SMILESCc1ccnc(-c2nnnn2CCCCN)c1
InChIInChI=1S/C11H16N6/c1-9-4-6-13-10(8-9)11-14-15-16-17(11)7-3-2-5-12/h4,6,8H,2-3,5,7,12H2,1H3
InChIKeyWMPMLKGEZXNUCK-UHFFFAOYSA-N
XLogP0.78
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387339
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182243

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine (CID 114182237) is 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine is Cc1ccnc(-c2nnnn2CCCCN)c1.
What is the InChIKey of 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is WMPMLKGEZXNUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-9-4-6-13-10(8-9)11-14-15-16-17(11)7-3-2-5-12/h4,6,8H,2-3,5,7,12H2,1H3.
What are the key properties of 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).