3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol

C18H22N6O2 — CID 133289444

IUPAC3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
SMILESCOCc1cc(N2CCN(Cc3cccc(O)c3)CC2)n2ncnc2n1
InChIInChI=1S/C18H22N6O2/c1-26-12-15-10-17(24-18(21-15)19-13-20-24)23-7-5-22(6-8-23)11-14-3-2-4-16(25)9-14/h2-4,9-10,13,25H,5-8,11-12H2,1H3
InChIKeyOURTVBCBTCZZDD-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.30
Rot. Bonds5

About 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol

3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol (PubChem CID 133289444) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
PubChem CID133289444
Molecular FormulaC18H22N6O2
Molecular Weight354.41 g/mol
Exact Mass354.18
IUPAC Name3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol
SMILESCOCc1cc(N2CCN(Cc3cccc(O)c3)CC2)n2ncnc2n1
InChIInChI=1S/C18H22N6O2/c1-26-12-15-10-17(24-18(21-15)19-13-20-24)23-7-5-22(6-8-23)11-14-3-2-4-16(25)9-14/h2-4,9-10,13,25H,5-8,11-12H2,1H3
InChIKeyOURTVBCBTCZZDD-UHFFFAOYSA-N
XLogP1.30
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

7-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133274031
5-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]pyridin-2-amine
CID 133304099
7-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46096770
5-(methoxymethyl)-7-(3-pyrazol-1-ylazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126900419
3H-benzimidazol-5-yl-[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
CID 71910124
5-(methoxymethyl)-7-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133307441
5-(methoxymethyl)-7-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 126874378
7-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 18133135
7-methoxy-2-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 133273595
2-(furan-2-yl)-4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 133347018
3-[[4-(6-ethoxypyrimidin-4-yl)piperazin-1-yl]methyl]phenol
CID 86795904
7-[4-[(4-bromo-3-fluorophenyl)methyl]piperazin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133345062

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol (CID 133289444) is 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol is COCc1cc(N2CCN(Cc3cccc(O)c3)CC2)n2ncnc2n1.
What is the InChIKey of 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol?
The InChIKey is OURTVBCBTCZZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-26-12-15-10-17(24-18(21-15)19-13-20-24)23-7-5-22(6-8-23)11-14-3-2-4-16(25)9-14/h2-4,9-10,13,25H,5-8,11-12H2,1H3.
What are the key properties of 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol?
3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol has a molecular weight of 354.41 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 133289444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).