5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine

C12H15ClN6 — CID 123749907

IUPAC5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1cnn(C2CCN(c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C12H15ClN6/c1-9-6-16-19(17-9)11-2-4-18(5-3-11)12-14-7-10(13)8-15-12/h6-8,11H,2-5H2,1H3
InChIKeyDCOJZSPVDWADMO-UHFFFAOYSA-N
MW278.75 g/mol
LogP1.87
Rot. Bonds2

About 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine

5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine (PubChem CID 123749907) has the molecular formula C12H15ClN6 and a molecular weight of 278.75 g/mol. Its IUPAC name is 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine
PubChem CID123749907
Molecular FormulaC12H15ClN6
Molecular Weight278.75 g/mol
Exact Mass278.10
IUPAC Name5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine
SMILESCc1cnn(C2CCN(c3ncc(Cl)cn3)CC2)n1
InChIInChI=1S/C12H15ClN6/c1-9-6-16-19(17-9)11-2-4-18(5-3-11)12-14-7-10(13)8-15-12/h6-8,11H,2-5H2,1H3
InChIKeyDCOJZSPVDWADMO-UHFFFAOYSA-N
XLogP1.87
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine (CID 123749907) is 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine is Cc1cnn(C2CCN(c3ncc(Cl)cn3)CC2)n1.
What is the InChIKey of 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
The InChIKey is DCOJZSPVDWADMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN6/c1-9-6-16-19(17-9)11-2-4-18(5-3-11)12-14-7-10(13)8-15-12/h6-8,11H,2-5H2,1H3.
What are the key properties of 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine?
5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine has a molecular weight of 278.75 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[4-(4-methyltriazol-2-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 123749907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).