propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate

C11H15N5O2 — CID 21390893

IUPACpropyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate
SMILESCCCOC(=O)NNc1n[nH]c2ccc(N)cc12
InChIInChI=1S/C11H15N5O2/c1-2-5-18-11(17)16-15-10-8-6-7(12)3-4-9(8)13-14-10/h3-4,6H,2,5,12H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyKDSZVLJRQQWTRD-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.61
Rot. Bonds4

About propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate

propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate (PubChem CID 21390893) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate.

Molecular Properties

Compound Namepropyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate
PubChem CID21390893
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Namepropyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate
SMILESCCCOC(=O)NNc1n[nH]c2ccc(N)cc12
InChIInChI=1S/C11H15N5O2/c1-2-5-18-11(17)16-15-10-8-6-7(12)3-4-9(8)13-14-10/h3-4,6H,2,5,12H2,1H3,(H,16,17)(H2,13,14,15)
InChIKeyKDSZVLJRQQWTRD-UHFFFAOYSA-N
XLogP1.61
TPSA105.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1H-Indazole-3,5-diamine
CID 17723727
4-methyl-1H-indazol-3-amine
CID 20329055
3-Hydrazinyl-2H-indazole
CID 21390879
ethyl N-amino-N-(5-fluoro-1H-indazol-3-yl)carbamate
CID 21390876
ethyl N-amino-N-[4-(trifluoromethyl)-1H-indazol-3-yl]carbamate
CID 21390887
methyl N-amino-N-[6-(trifluoromethyl)-1H-indazol-3-yl]carbamate
CID 21390895
propyl N-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]carbamate
CID 21390897
methyl N-[[6-(trifluoromethyl)-1H-indazol-3-yl]amino]carbamate
CID 53863958
ethyl N-[[4-(trifluoromethyl)-1H-indazol-3-yl]amino]carbamate
CID 53897281
ethyl N-[(5-fluoro-1H-indazol-3-yl)amino]carbamate
CID 54214397
1H-indazol-3-amine;2,2,2-trifluoroacetic acid
CID 122574481
N-(propan-2-ylideneamino)-1H-indazol-3-amine
CID 13160783

Frequently Asked Questions

What is the IUPAC name of propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate?
The IUPAC name of propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate (CID 21390893) is propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate.
What is the SMILES notation for propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate?
The canonical SMILES for propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate is CCCOC(=O)NNc1n[nH]c2ccc(N)cc12.
What is the InChIKey of propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate?
The InChIKey is KDSZVLJRQQWTRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-2-5-18-11(17)16-15-10-8-6-7(12)3-4-9(8)13-14-10/h3-4,6H,2,5,12H2,1H3,(H,16,17)(H2,13,14,15).
What are the key properties of propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate?
propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate has a molecular weight of 249.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl N-[(5-amino-1H-indazol-3-yl)amino]carbamate is sourced from PubChem (CID 21390893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).