6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol

C10H12N4O — CID 21019573

IUPAC6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol
SMILESOCc1nc2ncc3c(n2n1)CCCC3
InChIInChI=1S/C10H12N4O/c15-6-9-12-10-11-5-7-3-1-2-4-8(7)14(10)13-9/h5,15H,1-4,6H2
InChIKeyXTZIZFOTPAPDGY-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.50
Rot. Bonds1

About 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol

6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol (PubChem CID 21019573) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol
PubChem CID21019573
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol
SMILESOCc1nc2ncc3c(n2n1)CCCC3
InChIInChI=1S/C10H12N4O/c15-6-9-12-10-11-5-7-3-1-2-4-8(7)14(10)13-9/h5,15H,1-4,6H2
InChIKeyXTZIZFOTPAPDGY-UHFFFAOYSA-N
XLogP0.50
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol?
The IUPAC name of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol (CID 21019573) is 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol.
What is the SMILES notation for 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol?
The canonical SMILES for 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol is OCc1nc2ncc3c(n2n1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol?
The InChIKey is XTZIZFOTPAPDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c15-6-9-12-10-11-5-7-3-1-2-4-8(7)14(10)13-9/h5,15H,1-4,6H2.
What are the key properties of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol?
6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol has a molecular weight of 204.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazolin-2-ylmethanol is sourced from PubChem (CID 21019573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).