6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol

C12H16N4O — CID 79032588

IUPAC6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCc2cn[nH]c2C)n1
InChIInChI=1S/C12H16N4O/c1-8-3-4-12(17)11(15-8)7-13-5-10-6-14-16-9(10)2/h3-4,6,13,17H,5,7H2,1-2H3,(H,14,16)
InChIKeyNNXKVYHMNPNLQY-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.42
Rot. Bonds4

About 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol

6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol (PubChem CID 79032588) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol
PubChem CID79032588
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol
SMILESCc1ccc(O)c(CNCc2cn[nH]c2C)n1
InChIInChI=1S/C12H16N4O/c1-8-3-4-12(17)11(15-8)7-13-5-10-6-14-16-9(10)2/h3-4,6,13,17H,5,7H2,1-2H3,(H,14,16)
InChIKeyNNXKVYHMNPNLQY-UHFFFAOYSA-N
XLogP1.42
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-[[(2-methylphenyl)methylamino]methyl]pyridin-3-ol
CID 78928537
3-chloro-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]phenol
CID 79032587
2-[[(4-bromophenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928746
6-methyl-2-[[(2-methyl-1,3-thiazol-5-yl)methylamino]methyl]pyridin-3-ol
CID 78943653
6-methyl-2-[[[4-(trifluoromethyl)phenyl]methylamino]methyl]pyridin-3-ol
CID 78928434
2-[(but-2-ynylamino)methyl]-6-methylpyridin-3-ol
CID 115866294
2-[(2-bromoprop-2-enylamino)methyl]-6-methylpyridin-3-ol
CID 115614759
2-[[[2-(difluoromethoxy)phenyl]methylamino]methyl]-6-methylpyridin-3-ol
CID 78928435
4-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzene-1,2,3-triol
CID 103953159
2-[[(3,4-dimethoxyphenyl)methylamino]methyl]-6-methylpyridin-3-ol
CID 78928448
2-[(5-methyl-1H-pyrazol-4-yl)methylamino]acetic acid
CID 43663721
6-methyl-2-[(3,3,3-trifluoropropylamino)methyl]pyridin-3-ol
CID 79033199

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol?
The IUPAC name of 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol (CID 79032588) is 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol.
What is the SMILES notation for 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol?
The canonical SMILES for 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol is Cc1ccc(O)c(CNCc2cn[nH]c2C)n1.
What is the InChIKey of 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol?
The InChIKey is NNXKVYHMNPNLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-3-4-12(17)11(15-8)7-13-5-10-6-14-16-9(10)2/h3-4,6,13,17H,5,7H2,1-2H3,(H,14,16).
What are the key properties of 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol?
6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol has a molecular weight of 232.29 g/mol, XLogP of 1.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]pyridin-3-ol is sourced from PubChem (CID 79032588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).