1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol

C19H24N6O — CID 133326361

IUPAC1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(NCc2ccccc2CN2CCC(O)CC2)n2ncnc2n1
InChIInChI=1S/C19H24N6O/c1-14-10-18(25-19(23-14)21-13-22-25)20-11-15-4-2-3-5-16(15)12-24-8-6-17(26)7-9-24/h2-5,10,13,17,20,26H,6-9,11-12H2,1H3
InChIKeyVOCDVQTWZXAWDC-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.00
Rot. Bonds5

About 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol

1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol (PubChem CID 133326361) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
PubChem CID133326361
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol
SMILESCc1cc(NCc2ccccc2CN2CCC(O)CC2)n2ncnc2n1
InChIInChI=1S/C19H24N6O/c1-14-10-18(25-19(23-14)21-13-22-25)20-11-15-4-2-3-5-16(15)12-24-8-6-17(26)7-9-24/h2-5,10,13,17,20,26H,6-9,11-12H2,1H3
InChIKeyVOCDVQTWZXAWDC-UHFFFAOYSA-N
XLogP2.00
TPSA78.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol with MolForge

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Related Compounds

2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenol
CID 115598697
N-[(2-bromophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61401875
5-methyl-N-(pyridin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 39771868
N-[(2,3-dimethoxyphenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60506261
1-[[2-[[(5-bromo-4-methyl-2-pyridinyl)amino]methyl]phenyl]methyl]piperidin-4-ol
CID 133403510
N-[(1-benzylimidazol-2-yl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133324128
4,6-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrimidin-2-amine
CID 78899337
1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-ol
CID 18191380
7-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 118472513
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293413
N-(1H-benzimidazol-2-ylmethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 43816833
N-[[3-(methoxymethyl)phenyl]methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 60965953

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol (CID 133326361) is 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol is Cc1cc(NCc2ccccc2CN2CCC(O)CC2)n2ncnc2n1.
What is the InChIKey of 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
The InChIKey is VOCDVQTWZXAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O/c1-14-10-18(25-19(23-14)21-13-22-25)20-11-15-4-2-3-5-16(15)12-24-8-6-17(26)7-9-24/h2-5,10,13,17,20,26H,6-9,11-12H2,1H3.
What are the key properties of 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol?
1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol has a molecular weight of 352.44 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]methyl]piperidin-4-ol is sourced from PubChem (CID 133326361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).