6-(hydroxymethyl)-1-methylindazole-3-carbonitrile

C10H9N3O — CID 163230634

IUPAC6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
SMILESCn1nc(C#N)c2ccc(CO)cc21
InChIInChI=1S/C10H9N3O/c1-13-10-4-7(6-14)2-3-8(10)9(5-11)12-13/h2-4,14H,6H2,1H3
InChIKeySKZNTDFFUIELLM-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.94
Rot. Bonds1

About 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile

6-(hydroxymethyl)-1-methylindazole-3-carbonitrile (PubChem CID 163230634) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile.

Molecular Properties

Compound Name6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
PubChem CID163230634
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-(hydroxymethyl)-1-methylindazole-3-carbonitrile
SMILESCn1nc(C#N)c2ccc(CO)cc21
InChIInChI=1S/C10H9N3O/c1-13-10-4-7(6-14)2-3-8(10)9(5-11)12-13/h2-4,14H,6H2,1H3
InChIKeySKZNTDFFUIELLM-UHFFFAOYSA-N
XLogP0.94
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(3-cyano-1-methylindazol-5-yl)propanoic acid
CID 146315179
3-(6-bromo-1-methylindazol-3-yl)prop-2-yn-1-ol
CID 121272653
3-(1,3-dimethylindazol-6-yl)propan-1-ol
CID 117292757
5-chloro-1-methylpyrazolo[3,4-c]pyridine-3-carbonitrile
CID 170700378
ethane;(1-methylindazol-6-yl)methanol
CID 168921165
3-chloro-6-(isocyanatomethyl)-1-methylindazole
CID 117317274
6-hydroxy-1-[[[6-hydroxy-1-[2-(6-hydroxy-1-methylindazol-3-yl)ethyl]indazol-3-yl]amino]methyl]indazole-3-carbonitrile
CID 174248433
6-ethyl-1-methylindazol-3-amine
CID 67124935
(5-methylpyrido[4,3-b]indol-7-yl)methanol
CID 116986177
6-(2,2-dimethylpropyl)-1,3-dimethylindazole
CID 166958458
5-(hydroxymethyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 130048261
4-(hydroxymethyl)-2-methylbenzonitrile
CID 59460759

Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile?
The IUPAC name of 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile (CID 163230634) is 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile.
What is the SMILES notation for 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile?
The canonical SMILES for 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile is Cn1nc(C#N)c2ccc(CO)cc21.
What is the InChIKey of 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile?
The InChIKey is SKZNTDFFUIELLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-13-10-4-7(6-14)2-3-8(10)9(5-11)12-13/h2-4,14H,6H2,1H3.
What are the key properties of 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile?
6-(hydroxymethyl)-1-methylindazole-3-carbonitrile has a molecular weight of 187.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-1-methylindazole-3-carbonitrile is sourced from PubChem (CID 163230634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).