ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine

C8H16N4 — CID 143917886

IUPACethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC.CC1CNc2nncn2C1
InChIInChI=1S/C6H10N4.C2H6/c1-5-2-7-6-9-8-4-10(6)3-5;1-2/h4-5H,2-3H2,1H3,(H,7,9);1-2H3
InChIKeySCXHJZICUCVZMX-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds

About ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine

ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 143917886) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Nameethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID143917886
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Nameethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC.CC1CNc2nncn2C1
InChIInChI=1S/C6H10N4.C2H6/c1-5-2-7-6-9-8-4-10(6)3-5;1-2/h4-5H,2-3H2,1H3,(H,7,9);1-2H3
InChIKeySCXHJZICUCVZMX-UHFFFAOYSA-N
XLogP1.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine (CID 143917886) is ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine is CC.CC1CNc2nncn2C1.
What is the InChIKey of ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is SCXHJZICUCVZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.C2H6/c1-5-2-7-6-9-8-4-10(6)3-5;1-2/h4-5H,2-3H2,1H3,(H,7,9);1-2H3.
What are the key properties of ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine?
ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 168.24 g/mol, XLogP of 1.37, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 143917886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).