1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C19H29N7O — CID 70738964

IUPAC1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1cc(N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)ncn1
InChIInChI=1S/C19H29N7O/c1-14-11-17(21-13-20-14)26-9-3-15(4-10-26)19-23-22-18(24(19)2)12-25-7-5-16(27)6-8-25/h11,13,15-16,27H,3-10,12H2,1-2H3
InChIKeyVNRDKEZTHOUNAS-UHFFFAOYSA-N
MW371.49 g/mol
LogP1.25
Rot. Bonds4

About 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 70738964) has the molecular formula C19H29N7O and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID70738964
Molecular FormulaC19H29N7O
Molecular Weight371.49 g/mol
Exact Mass371.24
IUPAC Name1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1cc(N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)ncn1
InChIInChI=1S/C19H29N7O/c1-14-11-17(21-13-20-14)26-9-3-15(4-10-26)19-23-22-18(24(19)2)12-25-7-5-16(27)6-8-25/h11,13,15-16,27H,3-10,12H2,1-2H3
InChIKeyVNRDKEZTHOUNAS-UHFFFAOYSA-N
XLogP1.25
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 70738964) is 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cc1cc(N2CCC(c3nnc(CN4CCC(O)CC4)n3C)CC2)ncn1.
What is the InChIKey of 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is VNRDKEZTHOUNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N7O/c1-14-11-17(21-13-20-14)26-9-3-15(4-10-26)19-23-22-18(24(19)2)12-25-7-5-16(27)6-8-25/h11,13,15-16,27H,3-10,12H2,1-2H3.
What are the key properties of 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 371.49 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 70738964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).