4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine

C11H16N6 — CID 114182228

IUPAC4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1Cc1cccnc1
InChIInChI=1S/C11H16N6/c12-5-1-2-7-17-11(14-15-16-17)8-10-4-3-6-13-9-10/h3-4,6,9H,1-2,5,7-8,12H2
InChIKeyCNAWNWQRRVJVSL-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.40
Rot. Bonds6

About 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine

4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182228) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182228
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1Cc1cccnc1
InChIInChI=1S/C11H16N6/c12-5-1-2-7-17-11(14-15-16-17)8-10-4-3-6-13-9-10/h3-4,6,9H,1-2,5,7-8,12H2
InChIKeyCNAWNWQRRVJVSL-UHFFFAOYSA-N
XLogP0.40
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.40
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-[(2-chlorophenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182253
3-(5-benzyltetrazol-1-yl)propan-1-ol
CID 84759521
4-[5-[(2-methoxyphenyl)methyl]tetrazol-1-yl]butan-1-amine
CID 84758975
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-oxo-3-(phenylmethoxycarbonylamino)-5-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentanoic acid
CID 22614638
benzyl N-[2-oxo-1-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]pentan-3-yl]carbamate
CID 18726149
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
4-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387362
4-[5-[(4-methyl-1,3-thiazol-2-yl)methyl]tetrazol-1-yl]butan-1-amine
CID 114182255
3-[5-[(3-chlorophenyl)methyl]tetrazol-1-yl]propan-1-ol
CID 84759511
4-[5-[(3-chlorophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387282
2-[5-(pyridin-4-ylmethyl)tetrazol-1-yl]acetic acid
CID 66040568

Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine (CID 114182228) is 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1Cc1cccnc1.
What is the InChIKey of 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is CNAWNWQRRVJVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-5-1-2-7-17-11(14-15-16-17)8-10-4-3-6-13-9-10/h3-4,6,9H,1-2,5,7-8,12H2.
What are the key properties of 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine?
4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 232.29 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyridin-3-ylmethyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).