[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol

C16H18N6O — CID 167849359

IUPAC[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol
SMILESCn1nnc2c(N3CCCC3(CO)c3ccccc3)ncnc21
InChIInChI=1S/C16H18N6O/c1-21-14-13(19-20-21)15(18-11-17-14)22-9-5-8-16(22,10-23)12-6-3-2-4-7-12/h2-4,6-7,11,23H,5,8-10H2,1H3
InChIKeyUKPHPDMDACPRSI-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.25
Rot. Bonds3

About [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol

[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol (PubChem CID 167849359) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol
PubChem CID167849359
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol
SMILESCn1nnc2c(N3CCCC3(CO)c3ccccc3)ncnc21
InChIInChI=1S/C16H18N6O/c1-21-14-13(19-20-21)15(18-11-17-14)22-9-5-8-16(22,10-23)12-6-3-2-4-7-12/h2-4,6-7,11,23H,5,8-10H2,1H3
InChIKeyUKPHPDMDACPRSI-UHFFFAOYSA-N
XLogP1.25
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol (CID 167849359) is [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol is Cn1nnc2c(N3CCCC3(CO)c3ccccc3)ncnc21.
What is the InChIKey of [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol?
The InChIKey is UKPHPDMDACPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-21-14-13(19-20-21)15(18-11-17-14)22-9-5-8-16(22,10-23)12-6-3-2-4-7-12/h2-4,6-7,11,23H,5,8-10H2,1H3.
What are the key properties of [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol?
[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol has a molecular weight of 310.36 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)-2-phenylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 167849359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).