2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine

C11H13Cl2N5O — CID 62865776

IUPAC2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCc1nn(-c2nc(Cl)nc(OC(C)C)n2)c(C)c1Cl
InChIInChI=1S/C11H13Cl2N5O/c1-5(2)19-11-15-9(13)14-10(16-11)18-7(4)8(12)6(3)17-18/h5H,1-4H3
InChIKeyPKQRCXIMRAVYPB-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine

2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62865776) has the molecular formula C11H13Cl2N5O and a molecular weight of 302.17 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62865776
Molecular FormulaC11H13Cl2N5O
Molecular Weight302.17 g/mol
Exact Mass301.05
IUPAC Name2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCc1nn(-c2nc(Cl)nc(OC(C)C)n2)c(C)c1Cl
InChIInChI=1S/C11H13Cl2N5O/c1-5(2)19-11-15-9(13)14-10(16-11)18-7(4)8(12)6(3)17-18/h5H,1-4H3
InChIKeyPKQRCXIMRAVYPB-UHFFFAOYSA-N
XLogP2.77
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 62865776) is 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine is Cc1nn(-c2nc(Cl)nc(OC(C)C)n2)c(C)c1Cl.
What is the InChIKey of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is PKQRCXIMRAVYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5O/c1-5(2)19-11-15-9(13)14-10(16-11)18-7(4)8(12)6(3)17-18/h5H,1-4H3.
What are the key properties of 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 302.17 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62865776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).