2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol

C7H12N4O — CID 163909388

IUPAC2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
SMILESCc1nc2n(n1)C(C)CC(O)N2
InChIInChI=1S/C7H12N4O/c1-4-3-6(12)9-7-8-5(2)10-11(4)7/h4,6,12H,3H2,1-2H3,(H,8,9,10)
InChIKeyQQUCPLBADVMWTB-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.28
Rot. Bonds

About 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol

2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol (PubChem CID 163909388) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol.

Molecular Properties

Compound Name2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
PubChem CID163909388
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
SMILESCc1nc2n(n1)C(C)CC(O)N2
InChIInChI=1S/C7H12N4O/c1-4-3-6(12)9-7-8-5(2)10-11(4)7/h4,6,12H,3H2,1-2H3,(H,8,9,10)
InChIKeyQQUCPLBADVMWTB-UHFFFAOYSA-N
XLogP0.28
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol?
The IUPAC name of 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol (CID 163909388) is 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol.
What is the SMILES notation for 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol?
The canonical SMILES for 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol is Cc1nc2n(n1)C(C)CC(O)N2.
What is the InChIKey of 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol?
The InChIKey is QQUCPLBADVMWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-4-3-6(12)9-7-8-5(2)10-11(4)7/h4,6,12H,3H2,1-2H3,(H,8,9,10).
What are the key properties of 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol?
2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol has a molecular weight of 168.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol is sourced from PubChem (CID 163909388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).