trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

C19H20N8O — CID 90389802

IUPACtrans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCn1cc(-c2ccc(-n3nnc4cnc(N[C@@H]5CC[C@@H](O)C5)nc43)cc2)cn1
InChIInChI=1S/C19H20N8O/c1-26-11-13(9-21-26)12-2-5-15(6-3-12)27-18-17(24-25-27)10-20-19(23-18)22-14-4-7-16(28)8-14/h2-3,5-6,9-11,14,16,28H,4,7-8H2,1H3,(H,20,22,23)/t14-,16-/m1/s1
InChIKeyGGLNTTWBMIHSSP-GDBMZVCRSA-N
MW376.42 g/mol
LogP1.94
Rot. Bonds4

About trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 90389802) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
PubChem CID90389802
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Nametrans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCn1cc(-c2ccc(-n3nnc4cnc(N[C@@H]5CC[C@@H](O)C5)nc43)cc2)cn1
InChIInChI=1S/C19H20N8O/c1-26-11-13(9-21-26)12-2-5-15(6-3-12)27-18-17(24-25-27)10-20-19(23-18)22-14-4-7-16(28)8-14/h2-3,5-6,9-11,14,16,28H,4,7-8H2,1H3,(H,20,22,23)/t14-,16-/m1/s1
InChIKeyGGLNTTWBMIHSSP-GDBMZVCRSA-N
XLogP1.94
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 90389802) is trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is Cn1cc(-c2ccc(-n3nnc4cnc(N[C@@H]5CC[C@@H](O)C5)nc43)cc2)cn1.
What is the InChIKey of trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The InChIKey is GGLNTTWBMIHSSP-GDBMZVCRSA-N. The full InChI is InChI=1S/C19H20N8O/c1-26-11-13(9-21-26)12-2-5-15(6-3-12)27-18-17(24-25-27)10-20-19(23-18)22-14-4-7-16(28)8-14/h2-3,5-6,9-11,14,16,28H,4,7-8H2,1H3,(H,20,22,23)/t14-,16-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 376.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[[3-[4-(1-methylpyrazol-4-yl)phenyl]triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 90389802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).