3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol

C7H9N5O — CID 127013447

IUPAC3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
SMILESOCCCc1cnc2nnnn2c1
InChIInChI=1S/C7H9N5O/c13-3-1-2-6-4-8-7-9-10-11-12(7)5-6/h4-5,13H,1-3H2
InChIKeyRDTLOPFNCAFDPN-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.56
Rot. Bonds3

About 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol

3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol (PubChem CID 127013447) has the molecular formula C7H9N5O and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol.

Molecular Properties

Compound Name3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
PubChem CID127013447
Molecular FormulaC7H9N5O
Molecular Weight179.18 g/mol
Exact Mass179.08
IUPAC Name3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol
SMILESOCCCc1cnc2nnnn2c1
InChIInChI=1S/C7H9N5O/c13-3-1-2-6-4-8-7-9-10-11-12(7)5-6/h4-5,13H,1-3H2
InChIKeyRDTLOPFNCAFDPN-UHFFFAOYSA-N
XLogP-0.56
TPSA76.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
The IUPAC name of 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol (CID 127013447) is 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol.
What is the SMILES notation for 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
The canonical SMILES for 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is OCCCc1cnc2nnnn2c1.
What is the InChIKey of 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
The InChIKey is RDTLOPFNCAFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N5O/c13-3-1-2-6-4-8-7-9-10-11-12(7)5-6/h4-5,13H,1-3H2.
What are the key properties of 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol?
3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol has a molecular weight of 179.18 g/mol, XLogP of -0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazolo[1,5-a]pyrimidin-6-yl)propan-1-ol is sourced from PubChem (CID 127013447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).