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

C9H10N4 — CID 12581395

IUPAC6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
SMILESc1nc2ncc3c(n2n1)CCCC3
InChIInChI=1S/C9H10N4/c1-2-4-8-7(3-1)5-10-9-11-6-12-13(8)9/h5-6H,1-4H2
InChIKeyBQDVQELWDYSNLH-UHFFFAOYSA-N
MW174.21 g/mol
LogP1.00
Rot. Bonds

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

6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline (PubChem CID 12581395) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
PubChem CID12581395
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC Name6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline
SMILESc1nc2ncc3c(n2n1)CCCC3
InChIInChI=1S/C9H10N4/c1-2-4-8-7(3-1)5-10-9-11-6-12-13(8)9/h5-6H,1-4H2
InChIKeyBQDVQELWDYSNLH-UHFFFAOYSA-N
XLogP1.00
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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]quinazoline?
The IUPAC name of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline (CID 12581395) is 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline.
What is the SMILES notation for 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The canonical SMILES for 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline is c1nc2ncc3c(n2n1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
The InChIKey is BQDVQELWDYSNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-2-4-8-7(3-1)5-10-9-11-6-12-13(8)9/h5-6H,1-4H2.
What are the key properties of 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline?
6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline has a molecular weight of 174.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-[1,2,4]triazolo[1,5-a]quinazoline is sourced from PubChem (CID 12581395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).