5-chloro-6-propan-2-yl-1,2,4-triazine

C6H8ClN3 — CID 116822816

IUPAC5-chloro-6-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1nncnc1Cl
InChIInChI=1S/C6H8ClN3/c1-4(2)5-6(7)8-3-9-10-5/h3-4H,1-2H3
InChIKeyXRRSRAJJDILIIC-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-6-propan-2-yl-1,2,4-triazine

5-chloro-6-propan-2-yl-1,2,4-triazine (PubChem CID 116822816) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 5-chloro-6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-6-propan-2-yl-1,2,4-triazine
PubChem CID116822816
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name5-chloro-6-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1nncnc1Cl
InChIInChI=1S/C6H8ClN3/c1-4(2)5-6(7)8-3-9-10-5/h3-4H,1-2H3
InChIKeyXRRSRAJJDILIIC-UHFFFAOYSA-N
XLogP1.65
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-6-propan-2-yl-1,2,4-triazine
CID 89392083
4-chloro-6-propan-2-ylpyrimidin-5-amine;4,6-dichloropyrimidin-5-amine
CID 159878349
4-chloro-5-iodo-6-propan-2-ylpyrimidine
CID 11471590
6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63728275
5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
CID 116823297
3-chloro-2-propan-2-ylpyridin-4-amine
CID 54425054
4-chloro-2-propan-2-ylpyridin-3-amine
CID 134168279
3-chloro-1-methyl-7-propan-2-ylpyrazolo[4,5-d]pyrimidine
CID 164758112
5-chloro-6-naphthalen-2-yl-1,2,4-triazine
CID 116822943
5-tert-butyl-3-chloro-2-propan-2-ylpyrazine
CID 154964886
7-propan-2-yl-1,2,4-benzotriazine
CID 146184200
2-(4,6-dichloropyrimidin-5-yl)sulfanylpropan-1-amine
CID 175149858

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 5-chloro-6-propan-2-yl-1,2,4-triazine (CID 116822816) is 5-chloro-6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 5-chloro-6-propan-2-yl-1,2,4-triazine is CC(C)c1nncnc1Cl.
What is the InChIKey of 5-chloro-6-propan-2-yl-1,2,4-triazine?
The InChIKey is XRRSRAJJDILIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-4(2)5-6(7)8-3-9-10-5/h3-4H,1-2H3.
What are the key properties of 5-chloro-6-propan-2-yl-1,2,4-triazine?
5-chloro-6-propan-2-yl-1,2,4-triazine has a molecular weight of 157.60 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 116822816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).