methyl N-amino-N-(1H-indazol-3-yl)carbamate

C9H10N4O2 — CID 21390875

IUPACmethyl N-amino-N-(1H-indazol-3-yl)carbamate
SMILESCOC(=O)N(N)c1n[nH]c2ccccc12
InChIInChI=1S/C9H10N4O2/c1-15-9(14)13(10)8-6-4-2-3-5-7(6)11-12-8/h2-5H,10H2,1H3,(H,11,12)
InChIKeyISZSTJVZUDNPKW-UHFFFAOYSA-N
MW206.21 g/mol
LogP1.01
Rot. Bonds1

About methyl N-amino-N-(1H-indazol-3-yl)carbamate

methyl N-amino-N-(1H-indazol-3-yl)carbamate (PubChem CID 21390875) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is methyl N-amino-N-(1H-indazol-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-amino-N-(1H-indazol-3-yl)carbamate
PubChem CID21390875
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Namemethyl N-amino-N-(1H-indazol-3-yl)carbamate
SMILESCOC(=O)N(N)c1n[nH]c2ccccc12
InChIInChI=1S/C9H10N4O2/c1-15-9(14)13(10)8-6-4-2-3-5-7(6)11-12-8/h2-5H,10H2,1H3,(H,11,12)
InChIKeyISZSTJVZUDNPKW-UHFFFAOYSA-N
XLogP1.01
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1H-indazol-3-yl(methyl)carbamic acid
CID 121452546
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
N,N-diethyl-1H-indazol-3-amine
CID 174534127
1-(1H-indazol-3-yl)ethanone
CID 15684169
methyl 2-(4-oxo-1H-cinnolin-3-yl)acetate
CID 147584818
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
methyl N-amino-N-(2-fluorophenyl)carbamate
CID 45119245
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
ethyl 3-(1H-indazol-3-ylamino)-3-oxopropanoate
CID 110474185
ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate
CID 21390887
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563

Frequently Asked Questions

What is the IUPAC name of methyl N-amino-N-(1H-indazol-3-yl)carbamate?
The IUPAC name of methyl N-amino-N-(1H-indazol-3-yl)carbamate (CID 21390875) is methyl N-amino-N-(1H-indazol-3-yl)carbamate.
What is the SMILES notation for methyl N-amino-N-(1H-indazol-3-yl)carbamate?
The canonical SMILES for methyl N-amino-N-(1H-indazol-3-yl)carbamate is COC(=O)N(N)c1n[nH]c2ccccc12.
What is the InChIKey of methyl N-amino-N-(1H-indazol-3-yl)carbamate?
The InChIKey is ISZSTJVZUDNPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2/c1-15-9(14)13(10)8-6-4-2-3-5-7(6)11-12-8/h2-5H,10H2,1H3,(H,11,12).
What are the key properties of methyl N-amino-N-(1H-indazol-3-yl)carbamate?
methyl N-amino-N-(1H-indazol-3-yl)carbamate has a molecular weight of 206.21 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-amino-N-(1H-indazol-3-yl)carbamate is sourced from PubChem (CID 21390875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).