5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine

C6H6ClN5 — CID 14022336

IUPAC5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
SMILESCC1=Nc2c(Cl)ncnc2NN1
InChIInChI=1S/C6H6ClN5/c1-3-10-4-5(7)8-2-9-6(4)12-11-3/h2H,1H3,(H,10,11)(H,8,9,12)
InChIKeyQSAHDHIADYADHN-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.11
Rot. Bonds

About 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine

5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (PubChem CID 14022336) has the molecular formula C6H6ClN5 and a molecular weight of 183.60 g/mol. Its IUPAC name is 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine.

Molecular Properties

Compound Name5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
PubChem CID14022336
Molecular FormulaC6H6ClN5
Molecular Weight183.60 g/mol
Exact Mass183.03
IUPAC Name5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
SMILESCC1=Nc2c(Cl)ncnc2NN1
InChIInChI=1S/C6H6ClN5/c1-3-10-4-5(7)8-2-9-6(4)12-11-3/h2H,1H3,(H,10,11)(H,8,9,12)
InChIKeyQSAHDHIADYADHN-UHFFFAOYSA-N
XLogP1.11
TPSA62.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The IUPAC name of 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CID 14022336) is 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine.
What is the SMILES notation for 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The canonical SMILES for 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is CC1=Nc2c(Cl)ncnc2NN1.
What is the InChIKey of 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The InChIKey is QSAHDHIADYADHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN5/c1-3-10-4-5(7)8-2-9-6(4)12-11-3/h2H,1H3,(H,10,11)(H,8,9,12).
What are the key properties of 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine has a molecular weight of 183.60 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is sourced from PubChem (CID 14022336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).