1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

C12H20N4O2 — CID 147406239

IUPAC1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCCn1nnc(C(=O)CCC2CCOC2)n1
InChIInChI=1S/C12H20N4O2/c1-2-3-7-16-14-12(13-15-16)11(17)5-4-10-6-8-18-9-10/h10H,2-9H2,1H3
InChIKeyDPSKOXSNQOROPO-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.47
Rot. Bonds7

About 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one

1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (PubChem CID 147406239) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
PubChem CID147406239
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
SMILESCCCCn1nnc(C(=O)CCC2CCOC2)n1
InChIInChI=1S/C12H20N4O2/c1-2-3-7-16-14-12(13-15-16)11(17)5-4-10-6-8-18-9-10/h10H,2-9H2,1H3
InChIKeyDPSKOXSNQOROPO-UHFFFAOYSA-N
XLogP1.47
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The IUPAC name of 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one (CID 147406239) is 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The canonical SMILES for 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is CCCCn1nnc(C(=O)CCC2CCOC2)n1.
What is the InChIKey of 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
The InChIKey is DPSKOXSNQOROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-3-7-16-14-12(13-15-16)11(17)5-4-10-6-8-18-9-10/h10H,2-9H2,1H3.
What are the key properties of 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one?
1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one has a molecular weight of 252.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butyltetrazol-5-yl)-3-(oxolan-3-yl)propan-1-one is sourced from PubChem (CID 147406239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).