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

C10H13ClN6 — CID 106387254

IUPAC4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN6/c11-8-3-4-9(13-7-8)10-14-15-16-17(10)6-2-1-5-12/h3-4,7H,1-2,5-6,12H2
InChIKeyPIXKLUYZHZPVBP-UHFFFAOYSA-N
MW252.71 g/mol
LogP1.13
Rot. Bonds5

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

4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine (PubChem CID 106387254) has the molecular formula C10H13ClN6 and a molecular weight of 252.71 g/mol. Its IUPAC name is 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
PubChem CID106387254
Molecular FormulaC10H13ClN6
Molecular Weight252.71 g/mol
Exact Mass252.09
IUPAC Name4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ccc(Cl)cn1
InChIInChI=1S/C10H13ClN6/c11-8-3-4-9(13-7-8)10-14-15-16-17(10)6-2-1-5-12/h3-4,7H,1-2,5-6,12H2
InChIKeyPIXKLUYZHZPVBP-UHFFFAOYSA-N
XLogP1.13
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 51.13
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-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237
2-[5-(5-fluoro-2-pyridinyl)tetrazol-1-yl]ethanamine
CID 79713126
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
3-[5-(6-methyl-2-pyridinyl)tetrazol-1-yl]propan-1-amine
CID 63555277
4-[5-(3-chloro-2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182235
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-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182243
3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
3-[5-(2-chloro-6-fluorophenyl)tetrazol-1-yl]propan-1-amine
CID 62500562

Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine (CID 106387254) is 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1-c1ccc(Cl)cn1.
What is the InChIKey of 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is PIXKLUYZHZPVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6/c11-8-3-4-9(13-7-8)10-14-15-16-17(10)6-2-1-5-12/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 252.71 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 106387254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).