6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol

C16H23N5O — CID 56780953

IUPAC6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCc3nc(C(C)C)nn3C2)n1
InChIInChI=1S/C16H23N5O/c1-10(2)16-19-15-7-5-12(9-21(15)20-16)17-8-13-14(22)6-4-11(3)18-13/h4,6,10,12,17,22H,5,7-9H2,1-3H3
InChIKeyHSNUNJUJRKTCLR-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.92
Rot. Bonds4

About 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol

6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol (PubChem CID 56780953) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol
PubChem CID56780953
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC Name6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNC2CCc3nc(C(C)C)nn3C2)n1
InChIInChI=1S/C16H23N5O/c1-10(2)16-19-15-7-5-12(9-21(15)20-16)17-8-13-14(22)6-4-11(3)18-13/h4,6,10,12,17,22H,5,7-9H2,1-3H3
InChIKeyHSNUNJUJRKTCLR-UHFFFAOYSA-N
XLogP1.92
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol (CID 56780953) is 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNC2CCc3nc(C(C)C)nn3C2)n1.
What is the InChIKey of 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol?
The InChIKey is HSNUNJUJRKTCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c1-10(2)16-19-15-7-5-12(9-21(15)20-16)17-8-13-14(22)6-4-11(3)18-13/h4,6,10,12,17,22H,5,7-9H2,1-3H3.
What are the key properties of 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol?
6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]pyridin-3-ol is sourced from PubChem (CID 56780953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).