4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine

C12H16N6O — CID 167992138

IUPAC4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCCC2c2ncn[nH]2)n1
InChIInChI=1S/C12H16N6O/c1-19-10-5-6-13-12(16-10)18-7-3-2-4-9(18)11-14-8-15-17-11/h5-6,8-9H,2-4,7H2,1H3,(H,14,15,17)
InChIKeyPKPOGPVPGWOOHB-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.33
Rot. Bonds3

About 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine

4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 167992138) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID167992138
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCOc1ccnc(N2CCCCC2c2ncn[nH]2)n1
InChIInChI=1S/C12H16N6O/c1-19-10-5-6-13-12(16-10)18-7-3-2-4-9(18)11-14-8-15-17-11/h5-6,8-9H,2-4,7H2,1H3,(H,14,15,17)
InChIKeyPKPOGPVPGWOOHB-UHFFFAOYSA-N
XLogP1.33
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine (CID 167992138) is 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine is COc1ccnc(N2CCCCC2c2ncn[nH]2)n1.
What is the InChIKey of 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is PKPOGPVPGWOOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-19-10-5-6-13-12(16-10)18-7-3-2-4-9(18)11-14-8-15-17-11/h5-6,8-9H,2-4,7H2,1H3,(H,14,15,17).
What are the key properties of 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine?
4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 260.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 167992138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).