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

C12H14ClN5O — CID 62868053

IUPAC2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H14ClN5O/c1-7(2)19-12-15-10(13)14-11(16-12)18-6-5-9(17-18)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyMILNILBMEDFXGW-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.38
Rot. Bonds4

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

2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 62868053) has the molecular formula C12H14ClN5O and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID62868053
Molecular FormulaC12H14ClN5O
Molecular Weight279.73 g/mol
Exact Mass279.09
IUPAC Name2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCC(C)Oc1nc(Cl)nc(-n2ccc(C3CC3)n2)n1
InChIInChI=1S/C12H14ClN5O/c1-7(2)19-12-15-10(13)14-11(16-12)18-6-5-9(17-18)8-3-4-8/h5-8H,3-4H2,1-2H3
InChIKeyMILNILBMEDFXGW-UHFFFAOYSA-N
XLogP2.38
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 62868053) is 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine is CC(C)Oc1nc(Cl)nc(-n2ccc(C3CC3)n2)n1.
What is the InChIKey of 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is MILNILBMEDFXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5O/c1-7(2)19-12-15-10(13)14-11(16-12)18-6-5-9(17-18)8-3-4-8/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 279.73 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-cyclopropylpyrazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 62868053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).