5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine

C7H10ClN3 — CID 116823297

IUPAC5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
SMILESCc1nnc(C(C)C)c(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-4(2)6-7(8)9-5(3)10-11-6/h4H,1-3H3
InChIKeyBBSKJGOAFDHRQP-UHFFFAOYSA-N
MW171.63 g/mol
LogP1.96
Rot. Bonds1

About 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine

5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine (PubChem CID 116823297) has the molecular formula C7H10ClN3 and a molecular weight of 171.63 g/mol. Its IUPAC name is 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
PubChem CID116823297
Molecular FormulaC7H10ClN3
Molecular Weight171.63 g/mol
Exact Mass171.06
IUPAC Name5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine
SMILESCc1nnc(C(C)C)c(Cl)n1
InChIInChI=1S/C7H10ClN3/c1-4(2)6-7(8)9-5(3)10-11-6/h4H,1-3H3
InChIKeyBBSKJGOAFDHRQP-UHFFFAOYSA-N
XLogP1.96
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.63
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine?
The IUPAC name of 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine (CID 116823297) is 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine?
The canonical SMILES for 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine is Cc1nnc(C(C)C)c(Cl)n1.
What is the InChIKey of 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine?
The InChIKey is BBSKJGOAFDHRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3/c1-4(2)6-7(8)9-5(3)10-11-6/h4H,1-3H3.
What are the key properties of 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine?
5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine has a molecular weight of 171.63 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-6-propan-2-yl-1,2,4-triazine is sourced from PubChem (CID 116823297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).