[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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Related Compounds

4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbaldehyde
CID 7424110
N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424077
5-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 138020060
[4-(2-chlorophenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557457
3-benzyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 1446155
N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine
CID 40532077
7-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-methyltriazolo[4,5-d]pyrimidine
CID 136552984
3-methyl-7-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]triazolo[4,5-d]pyrimidine
CID 167852100
1-methyl-2-phenyl-2-propylpyrrolidine
CID 70881193
N-(cyclohexylmethyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557585
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 90557462
10-(hydroxymethyl)-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-9-one
CID 68784895

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).