4-(tetrazol-1-yl)butan-1-amine

C5H11N5 — CID 55284078

IUPAC4-(tetrazol-1-yl)butan-1-amine
SMILESNCCCCn1cnnn1
InChIInChI=1S/C5H11N5/c6-3-1-2-4-10-5-7-8-9-10/h5H,1-4,6H2
InChIKeyUJOSEFNREWWKOA-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.59
Rot. Bonds4

About 4-(tetrazol-1-yl)butan-1-amine

4-(tetrazol-1-yl)butan-1-amine (PubChem CID 55284078) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(tetrazol-1-yl)butan-1-amine
PubChem CID55284078
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name4-(tetrazol-1-yl)butan-1-amine
SMILESNCCCCn1cnnn1
InChIInChI=1S/C5H11N5/c6-3-1-2-4-10-5-7-8-9-10/h5H,1-4,6H2
InChIKeyUJOSEFNREWWKOA-UHFFFAOYSA-N
XLogP-0.59
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Butyl-1H-Tetrazol-5-Amine
CID 223446
1H-1,2,4-Triazole-1-propanamine
CID 4379682
1-butyl-1H-tetrazole
CID 12144386
3-(1H-1,2,4-triazol-1-yl)propan-1-amine hydrochloride
CID 44119709
1-Propyl-1H-tetrazole
CID 13760805
1-pentyl-1H-tetrazole
CID 13760806
1-Hexyl-1H-tetrazole
CID 54142823
4-(1H-1,2,4-triazol-1-yl)butan-2-amine
CID 43118947
2-(1H-1,2,3,4-tetrazol-1-yl)ethan-1-amine hydrochloride
CID 71756171
3-(1H-1,2,3,4-tetrazol-1-yl)propan-1-amine hydrochloride
CID 137951227
1-Isobutyl-1H-tetrazole
CID 22320095
3-(1H-1,2,3,4-tetrazol-1-yl)propan-1-amine
CID 21843637

Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)butan-1-amine?
The IUPAC name of 4-(tetrazol-1-yl)butan-1-amine (CID 55284078) is 4-(tetrazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(tetrazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(tetrazol-1-yl)butan-1-amine is NCCCCn1cnnn1.
What is the InChIKey of 4-(tetrazol-1-yl)butan-1-amine?
The InChIKey is UJOSEFNREWWKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c6-3-1-2-4-10-5-7-8-9-10/h5H,1-4,6H2.
What are the key properties of 4-(tetrazol-1-yl)butan-1-amine?
4-(tetrazol-1-yl)butan-1-amine has a molecular weight of 141.18 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)butan-1-amine is sourced from PubChem (CID 55284078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).