4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine

C10H14N6 — CID 84758971

IUPAC4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
SMILESNCCCCn1nnnc1-c1ccncc1
InChIInChI=1S/C10H14N6/c11-5-1-2-8-16-10(13-14-15-16)9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2
InChIKeyGLDZFDIEVHTNTC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.47
Rot. Bonds5

About 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine

4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine (PubChem CID 84758971) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
PubChem CID84758971
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine
SMILESNCCCCn1nnnc1-c1ccncc1
InChIInChI=1S/C10H14N6/c11-5-1-2-8-16-10(13-14-15-16)9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2
InChIKeyGLDZFDIEVHTNTC-UHFFFAOYSA-N
XLogP0.47
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.47
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

3-[5-(4-methylphenyl)tetrazol-1-yl]propan-1-amine
CID 61375593
4-[5-(4-ethylsulfanylphenyl)tetrazol-1-yl]butan-1-amine
CID 106387360
3-[5-(4-tert-butylphenyl)tetrazol-1-yl]propan-1-amine
CID 84758929
3-[5-(4-ethylphenyl)tetrazol-1-yl]propan-1-amine
CID 61374258
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-(4-methyl-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 114182237
4-[5-(3,5-dimethoxyphenyl)tetrazol-1-yl]butan-1-amine
CID 84759011
4-[5-(5-chloro-2-pyridinyl)tetrazol-1-yl]butan-1-amine
CID 106387254
2-[5-(4-methylphenyl)tetrazol-1-yl]ethanamine
CID 61375782
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

Frequently Asked Questions

What is the IUPAC name of 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine?
The IUPAC name of 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine (CID 84758971) is 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine is NCCCCn1nnnc1-c1ccncc1.
What is the InChIKey of 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine?
The InChIKey is GLDZFDIEVHTNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-5-1-2-8-16-10(13-14-15-16)9-3-6-12-7-4-9/h3-4,6-7H,1-2,5,8,11H2.
What are the key properties of 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine?
4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine has a molecular weight of 218.26 g/mol, XLogP of 0.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-pyridin-4-yltetrazol-1-yl)butan-1-amine is sourced from PubChem (CID 84758971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).