2-(1-methyltetrazol-5-yl)butan-1-amine

C6H13N5 — CID 83635435

IUPAC2-(1-methyltetrazol-5-yl)butan-1-amine
SMILESCCC(CN)c1nnnn1C
InChIInChI=1S/C6H13N5/c1-3-5(4-7)6-8-9-10-11(6)2/h5H,3-4,7H2,1-2H3
InChIKeyWQAJXGGWCSSWBQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.34
Rot. Bonds3

About 2-(1-methyltetrazol-5-yl)butan-1-amine

2-(1-methyltetrazol-5-yl)butan-1-amine (PubChem CID 83635435) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(1-methyltetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name2-(1-methyltetrazol-5-yl)butan-1-amine
PubChem CID83635435
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name2-(1-methyltetrazol-5-yl)butan-1-amine
SMILESCCC(CN)c1nnnn1C
InChIInChI=1S/C6H13N5/c1-3-5(4-7)6-8-9-10-11(6)2/h5H,3-4,7H2,1-2H3
InChIKeyWQAJXGGWCSSWBQ-UHFFFAOYSA-N
XLogP-0.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methyltetrazol-5-yl)butan-1-amine?
The IUPAC name of 2-(1-methyltetrazol-5-yl)butan-1-amine (CID 83635435) is 2-(1-methyltetrazol-5-yl)butan-1-amine.
What is the SMILES notation for 2-(1-methyltetrazol-5-yl)butan-1-amine?
The canonical SMILES for 2-(1-methyltetrazol-5-yl)butan-1-amine is CCC(CN)c1nnnn1C.
What is the InChIKey of 2-(1-methyltetrazol-5-yl)butan-1-amine?
The InChIKey is WQAJXGGWCSSWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-3-5(4-7)6-8-9-10-11(6)2/h5H,3-4,7H2,1-2H3.
What are the key properties of 2-(1-methyltetrazol-5-yl)butan-1-amine?
2-(1-methyltetrazol-5-yl)butan-1-amine has a molecular weight of 155.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyltetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 83635435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).