1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol

C15H23N7O — CID 162628382

IUPAC1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)Cc1nc(Nc2nccc(N3CCCC(O)C3)n2)n[nH]1
InChIInChI=1S/C15H23N7O/c1-10(2)8-12-17-15(21-20-12)19-14-16-6-5-13(18-14)22-7-3-4-11(23)9-22/h5-6,10-11,23H,3-4,7-9H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyZNJXUZDVXLQNGZ-UHFFFAOYSA-N
MW317.40 g/mol
LogP1.50
Rot. Bonds5

About 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol

1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol (PubChem CID 162628382) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol
PubChem CID162628382
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC Name1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol
SMILESCC(C)Cc1nc(Nc2nccc(N3CCCC(O)C3)n2)n[nH]1
InChIInChI=1S/C15H23N7O/c1-10(2)8-12-17-15(21-20-12)19-14-16-6-5-13(18-14)22-7-3-4-11(23)9-22/h5-6,10-11,23H,3-4,7-9H2,1-2H3,(H2,16,17,18,19,20,21)
InChIKeyZNJXUZDVXLQNGZ-UHFFFAOYSA-N
XLogP1.50
TPSA102.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol?
The IUPAC name of 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol (CID 162628382) is 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol.
What is the SMILES notation for 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol?
The canonical SMILES for 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol is CC(C)Cc1nc(Nc2nccc(N3CCCC(O)C3)n2)n[nH]1.
What is the InChIKey of 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol?
The InChIKey is ZNJXUZDVXLQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O/c1-10(2)8-12-17-15(21-20-12)19-14-16-6-5-13(18-14)22-7-3-4-11(23)9-22/h5-6,10-11,23H,3-4,7-9H2,1-2H3,(H2,16,17,18,19,20,21).
What are the key properties of 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol?
1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol has a molecular weight of 317.40 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]amino]pyrimidin-4-yl]piperidin-3-ol is sourced from PubChem (CID 162628382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).