5-chloro-3-propan-2-yl-1,2,4-triazine

C6H8ClN3 — CID 83814499

IUPAC5-chloro-3-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1nncc(Cl)n1
InChIInChI=1S/C6H8ClN3/c1-4(2)6-9-5(7)3-8-10-6/h3-4H,1-2H3
InChIKeyOOHWUTJTFYIZHP-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-3-propan-2-yl-1,2,4-triazine

5-chloro-3-propan-2-yl-1,2,4-triazine (PubChem CID 83814499) has the molecular formula C6H8ClN3 and a molecular weight of 157.60 g/mol. Its IUPAC name is 5-chloro-3-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-propan-2-yl-1,2,4-triazine
PubChem CID83814499
Molecular FormulaC6H8ClN3
Molecular Weight157.60 g/mol
Exact Mass157.04
IUPAC Name5-chloro-3-propan-2-yl-1,2,4-triazine
SMILESCC(C)c1nncc(Cl)n1
InChIInChI=1S/C6H8ClN3/c1-4(2)6-9-5(7)3-8-10-6/h3-4H,1-2H3
InChIKeyOOHWUTJTFYIZHP-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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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-propan-2-yl-1,2,4-triazine?
The IUPAC name of 5-chloro-3-propan-2-yl-1,2,4-triazine (CID 83814499) is 5-chloro-3-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-propan-2-yl-1,2,4-triazine is CC(C)c1nncc(Cl)n1.
What is the InChIKey of 5-chloro-3-propan-2-yl-1,2,4-triazine?
The InChIKey is OOHWUTJTFYIZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3/c1-4(2)6-9-5(7)3-8-10-6/h3-4H,1-2H3.
What are the key properties of 5-chloro-3-propan-2-yl-1,2,4-triazine?
5-chloro-3-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-3-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 83814499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).