6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

C6H10N4 — CID 58759691

IUPAC6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCN1CCc2nncn2C1
InChIInChI=1S/C6H10N4/c1-9-3-2-6-8-7-4-10(6)5-9/h4H,2-3,5H2,1H3
InChIKeyPSRAPCHYERPEKZ-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.28
Rot. Bonds

About 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine

6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (PubChem CID 58759691) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.

Molecular Properties

Compound Name6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
PubChem CID58759691
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine
SMILESCN1CCc2nncn2C1
InChIInChI=1S/C6H10N4/c1-9-3-2-6-8-7-4-10(6)5-9/h4H,2-3,5H2,1H3
InChIKeyPSRAPCHYERPEKZ-UHFFFAOYSA-N
XLogP-0.28
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The IUPAC name of 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine (CID 58759691) is 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine.
What is the SMILES notation for 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The canonical SMILES for 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is CN1CCc2nncn2C1.
What is the InChIKey of 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
The InChIKey is PSRAPCHYERPEKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-9-3-2-6-8-7-4-10(6)5-9/h4H,2-3,5H2,1H3.
What are the key properties of 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine?
6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine has a molecular weight of 138.17 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine is sourced from PubChem (CID 58759691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).