2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol

C16H25N7O — CID 46984165

IUPAC2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCC(C)Nc1cc(N2CCC(n3cc(CCO)nn3)CC2)ncn1
InChIInChI=1S/C16H25N7O/c1-12(2)19-15-9-16(18-11-17-15)22-6-3-14(4-7-22)23-10-13(5-8-24)20-21-23/h9-12,14,24H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyMTIFGWNQGNBNPV-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.26
Rot. Bonds6

About 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol

2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol (PubChem CID 46984165) has the molecular formula C16H25N7O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol
PubChem CID46984165
Molecular FormulaC16H25N7O
Molecular Weight331.42 g/mol
Exact Mass331.21
IUPAC Name2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol
SMILESCC(C)Nc1cc(N2CCC(n3cc(CCO)nn3)CC2)ncn1
InChIInChI=1S/C16H25N7O/c1-12(2)19-15-9-16(18-11-17-15)22-6-3-14(4-7-22)23-10-13(5-8-24)20-21-23/h9-12,14,24H,3-8H2,1-2H3,(H,17,18,19)
InChIKeyMTIFGWNQGNBNPV-UHFFFAOYSA-N
XLogP1.26
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol (CID 46984165) is 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol is CC(C)Nc1cc(N2CCC(n3cc(CCO)nn3)CC2)ncn1.
What is the InChIKey of 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol?
The InChIKey is MTIFGWNQGNBNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N7O/c1-12(2)19-15-9-16(18-11-17-15)22-6-3-14(4-7-22)23-10-13(5-8-24)20-21-23/h9-12,14,24H,3-8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol?
2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol has a molecular weight of 331.42 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[6-(propan-2-ylamino)pyrimidin-4-yl]piperidin-4-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 46984165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).