1-(cyanomethyl)-3-(1H-indazol-6-yl)urea

C10H9N5O — CID 108864826

IUPAC1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
SMILESN#CCNC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C10H9N5O/c11-3-4-12-10(16)14-8-2-1-7-6-13-15-9(7)5-8/h1-2,5-6H,4H2,(H,13,15)(H2,12,14,16)
InChIKeyRIRKQQCNJOJTSA-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.21
Rot. Bonds2

About 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea

1-(cyanomethyl)-3-(1H-indazol-6-yl)urea (PubChem CID 108864826) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea.

Molecular Properties

Compound Name1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
PubChem CID108864826
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name1-(cyanomethyl)-3-(1H-indazol-6-yl)urea
SMILESN#CCNC(=O)Nc1ccc2cn[nH]c2c1
InChIInChI=1S/C10H9N5O/c11-3-4-12-10(16)14-8-2-1-7-6-13-15-9(7)5-8/h1-2,5-6H,4H2,(H,13,15)(H2,12,14,16)
InChIKeyRIRKQQCNJOJTSA-UHFFFAOYSA-N
XLogP1.21
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indazol-6-yl)-3-(4-methoxyphenyl)urea
CID 108866360
1-(1H-indazol-6-yl)-3-(4-methylphenyl)urea
CID 4256141
1-[2-(diethylamino)ethyl]-3-(1H-indazol-6-yl)urea
CID 91829802
N-ethyl-N'-(1H-indazol-6-yl)oxamide
CID 108521463
1-(1H-indazol-6-yl)-3-(2-phenylethyl)urea
CID 71655790
1-(4-bromophenyl)-3-(1H-indazol-6-yl)urea
CID 108869291
N-(4-cyanophenyl)-N'-(1H-indazol-6-yl)oxamide
CID 108519482
N'-(1H-indazol-6-yl)-N-(2-methylpropyl)oxamide
CID 108504895
1-(1H-indazol-6-yl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812161
1-(5-chloro-2-methoxyphenyl)-3-(1H-indazol-6-yl)urea
CID 108875557
1-(1H-indazol-6-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 108896278
N-(1H-indazol-6-yl)-2-(2-methoxyphenyl)acetamide
CID 36559497

Frequently Asked Questions

What is the IUPAC name of 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea?
The IUPAC name of 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea (CID 108864826) is 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea.
What is the SMILES notation for 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea?
The canonical SMILES for 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea is N#CCNC(=O)Nc1ccc2cn[nH]c2c1.
What is the InChIKey of 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea?
The InChIKey is RIRKQQCNJOJTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c11-3-4-12-10(16)14-8-2-1-7-6-13-15-9(7)5-8/h1-2,5-6H,4H2,(H,13,15)(H2,12,14,16).
What are the key properties of 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea?
1-(cyanomethyl)-3-(1H-indazol-6-yl)urea has a molecular weight of 215.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyanomethyl)-3-(1H-indazol-6-yl)urea is sourced from PubChem (CID 108864826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).