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

C10H12ClN5O — CID 55124869

IUPAC2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCc1nccn1-c1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H12ClN5O/c1-6(2)17-10-14-8(11)13-9(15-10)16-5-4-12-7(16)3/h4-6H,1-3H3
InChIKeyBWZUOFKCGBDLMS-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.81
Rot. Bonds3

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

2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine (PubChem CID 55124869) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
PubChem CID55124869
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine
SMILESCc1nccn1-c1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H12ClN5O/c1-6(2)17-10-14-8(11)13-9(15-10)16-5-4-12-7(16)3/h4-6H,1-3H3
InChIKeyBWZUOFKCGBDLMS-UHFFFAOYSA-N
XLogP1.81
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine (CID 55124869) is 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine is Cc1nccn1-c1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
The InChIKey is BWZUOFKCGBDLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-6(2)17-10-14-8(11)13-9(15-10)16-5-4-12-7(16)3/h4-6H,1-3H3.
What are the key properties of 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine?
2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine has a molecular weight of 253.69 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylimidazol-1-yl)-6-propan-2-yloxy-1,3,5-triazine is sourced from PubChem (CID 55124869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).