4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine

C10H12Br2N6 — CID 114182243

IUPAC4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ncc(Br)cc1Br
InChIInChI=1S/C10H12Br2N6/c11-7-5-8(12)9(14-6-7)10-15-16-17-18(10)4-2-1-3-13/h5-6H,1-4,13H2
InChIKeyMNDDMWMPHITCSL-UHFFFAOYSA-N
MW376.06 g/mol
LogP2.00
Rot. Bonds5

About 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine

4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine (PubChem CID 114182243) has the molecular formula C10H12Br2N6 and a molecular weight of 376.06 g/mol. Its IUPAC name is 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine.

Molecular Properties

Compound Name4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
PubChem CID114182243
Molecular FormulaC10H12Br2N6
Molecular Weight376.06 g/mol
Exact Mass373.95
IUPAC Name4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine
SMILESNCCCCn1nnnc1-c1ncc(Br)cc1Br
InChIInChI=1S/C10H12Br2N6/c11-7-5-8(12)9(14-6-7)10-15-16-17-18(10)4-2-1-3-13/h5-6H,1-4,13H2
InChIKeyMNDDMWMPHITCSL-UHFFFAOYSA-N
XLogP2.00
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.06
LogP ≤ 52.00
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-bromo-5-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 106387203
4-[5-(5-bromothiophen-2-yl)tetrazol-1-yl]butan-1-amine
CID 106387339
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
4-[5-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
CID 84758971
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
4-[5-(3-chlorophenyl)tetrazol-1-yl]butan-1-amine
CID 114182232
4-[5-(2-fluorophenyl)tetrazol-1-yl]butan-1-amine
CID 84758985
4-[5-(1-methylpyrazol-3-yl)tetrazol-1-yl]butan-1-amine
CID 106387289
4-[5-(3,4-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84758956
4-[5-[(4-bromophenyl)sulfanylmethyl]tetrazol-1-yl]butan-1-amine
CID 106387271

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The IUPAC name of 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine (CID 114182243) is 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine.
What is the SMILES notation for 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The canonical SMILES for 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine is NCCCCn1nnnc1-c1ncc(Br)cc1Br.
What is the InChIKey of 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
The InChIKey is MNDDMWMPHITCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Br2N6/c11-7-5-8(12)9(14-6-7)10-15-16-17-18(10)4-2-1-3-13/h5-6H,1-4,13H2.
What are the key properties of 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine?
4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine has a molecular weight of 376.06 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dibromo-2-pyridinyl)tetrazol-1-yl]butan-1-amine is sourced from PubChem (CID 114182243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).