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

C6H10N4O — CID 136837758

IUPAC4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol
SMILESOCc1nc2n(n1)CCCN2
InChIInChI=1S/C6H10N4O/c11-4-5-8-6-7-2-1-3-10(6)9-5/h11H,1-4H2,(H,7,8,9)
InChIKeyUTYYRRKNDHWJCR-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.41
Rot. Bonds1

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

4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol (PubChem CID 136837758) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol
PubChem CID136837758
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol
SMILESOCc1nc2n(n1)CCCN2
InChIInChI=1S/C6H10N4O/c11-4-5-8-6-7-2-1-3-10(6)9-5/h11H,1-4H2,(H,7,8,9)
InChIKeyUTYYRRKNDHWJCR-UHFFFAOYSA-N
XLogP-0.41
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-ylmethanol dihydrochloride
CID 54595923
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)methanol
CID 45122042
[7-(Difluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837707
[5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837723
[7-(trifluoromethyl)-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 136837744
[7-(difluoromethyl)-5-methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]methanol
CID 165475488
1-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)ethanol
CID 83387863
2-Methyl-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine
CID 136029397
CID 140576512
CID 140576512
2,7-Dimethyl-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-ol
CID 163909388
(5,6,7,8-Tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)methanol
CID 166132248
2-(6,7-dihydro-5H-[1,2,4]triazolo[5,1-b][1,3]oxazin-2-yl)ethanamine
CID 82413271

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol?
The IUPAC name of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol (CID 136837758) is 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol.
What is the SMILES notation for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol?
The canonical SMILES for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol is OCc1nc2n(n1)CCCN2.
What is the InChIKey of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol?
The InChIKey is UTYYRRKNDHWJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c11-4-5-8-6-7-2-1-3-10(6)9-5/h11H,1-4H2,(H,7,8,9).
What are the key properties of 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol?
4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol has a molecular weight of 154.17 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-ylmethanol is sourced from PubChem (CID 136837758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).