1-(1H-indazol-5-yl)-2-methylguanidine

C9H11N5 — CID 137381769

IUPAC1-(1H-indazol-5-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H11N5/c1-11-9(10)13-7-2-3-8-6(4-7)5-12-14-8/h2-5H,1H3,(H,12,14)(H3,10,11,13)
InChIKeyNULPRLDJSVHDPC-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.92
Rot. Bonds1

About 1-(1H-indazol-5-yl)-2-methylguanidine

1-(1H-indazol-5-yl)-2-methylguanidine (PubChem CID 137381769) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-(1H-indazol-5-yl)-2-methylguanidine.

Molecular Properties

Compound Name1-(1H-indazol-5-yl)-2-methylguanidine
PubChem CID137381769
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-(1H-indazol-5-yl)-2-methylguanidine
SMILESC/N=C(\N)Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C9H11N5/c1-11-9(10)13-7-2-3-8-6(4-7)5-12-14-8/h2-5H,1H3,(H,12,14)(H3,10,11,13)
InChIKeyNULPRLDJSVHDPC-UHFFFAOYSA-N
XLogP0.92
TPSA79.09 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(1H-indazol-5-ylcarbamoyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835019
2-ethyl-N-(1H-indazol-5-yl)butanamide
CID 17164523
N-(1H-indazol-5-yl)-4-methylbenzamide
CID 17163732
5-ethyl-N-(1H-indazol-5-yl)thiophene-3-carboxamide
CID 6467092
2-amino-N-(1H-indazol-5-yl)-4-methylpentanamide
CID 43704662
4-amino-N-(1H-indazol-5-yl)cyclohexane-1-carboxamide;hydrochloride
CID 117073585
2-(aminomethyl)-N-(1H-indazol-5-yl)butanamide
CID 65224950
1-(3,4-dichlorophenyl)-3-(1H-indazol-5-yl)urea
CID 4607305
2-hydroxyethyl N-(1H-indazol-5-yl)carbamate
CID 79346712
2-bromo-N-(1H-indazol-5-yl)-3-methylbutanamide
CID 43698098
2-(4-aminophenyl)-N-(1H-indazol-5-yl)-2-methylpropanamide
CID 82546658
(2R,5S)-5-(1H-indazol-5-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944700

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-5-yl)-2-methylguanidine?
The IUPAC name of 1-(1H-indazol-5-yl)-2-methylguanidine (CID 137381769) is 1-(1H-indazol-5-yl)-2-methylguanidine.
What is the SMILES notation for 1-(1H-indazol-5-yl)-2-methylguanidine?
The canonical SMILES for 1-(1H-indazol-5-yl)-2-methylguanidine is C/N=C(\N)Nc1ccc2[nH]ncc2c1.
What is the InChIKey of 1-(1H-indazol-5-yl)-2-methylguanidine?
The InChIKey is NULPRLDJSVHDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-11-9(10)13-7-2-3-8-6(4-7)5-12-14-8/h2-5H,1H3,(H,12,14)(H3,10,11,13).
What are the key properties of 1-(1H-indazol-5-yl)-2-methylguanidine?
1-(1H-indazol-5-yl)-2-methylguanidine has a molecular weight of 189.22 g/mol, XLogP of 0.92, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-5-yl)-2-methylguanidine is sourced from PubChem (CID 137381769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).