3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine

C8H15N5O — CID 65328377

IUPAC3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1C1CCCO1
InChIInChI=1S/C8H15N5O/c9-4-2-5-13-8(10-11-12-13)7-3-1-6-14-7/h7H,1-6,9H2
InChIKeyLABDNXHFPMAEHV-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.13
Rot. Bonds4

About 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine

3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine (PubChem CID 65328377) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine
PubChem CID65328377
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC Name3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine
SMILESNCCCn1nnnc1C1CCCO1
InChIInChI=1S/C8H15N5O/c9-4-2-5-13-8(10-11-12-13)7-3-1-6-14-7/h7H,1-6,9H2
InChIKeyLABDNXHFPMAEHV-UHFFFAOYSA-N
XLogP-0.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine (CID 65328377) is 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine is NCCCn1nnnc1C1CCCO1.
What is the InChIKey of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine?
The InChIKey is LABDNXHFPMAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c9-4-2-5-13-8(10-11-12-13)7-3-1-6-14-7/h7H,1-6,9H2.
What are the key properties of 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine?
3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine has a molecular weight of 197.24 g/mol, XLogP of -0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(oxolan-2-yl)tetrazol-1-yl]propan-1-amine is sourced from PubChem (CID 65328377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).