1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea

C9H11N5O2 — CID 151637556

IUPAC1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
SMILESO=C(NNO)NNc1cc2ccccc2[nH]1
InChIInChI=1S/C9H11N5O2/c15-9(13-14-16)12-11-8-5-6-3-1-2-4-7(6)10-8/h1-5,10-11,14,16H,(H2,12,13,15)
InChIKeyQRVDNGQHBXMHHG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.69
Rot. Bonds3

About 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea

1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea (PubChem CID 151637556) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea.

Molecular Properties

Compound Name1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
PubChem CID151637556
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea
SMILESO=C(NNO)NNc1cc2ccccc2[nH]1
InChIInChI=1S/C9H11N5O2/c15-9(13-14-16)12-11-8-5-6-3-1-2-4-7(6)10-8/h1-5,10-11,14,16H,(H2,12,13,15)
InChIKeyQRVDNGQHBXMHHG-UHFFFAOYSA-N
XLogP0.69
TPSA101.21 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500221.22
LogP ≤ 50.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

chloro N-(1H-indol-2-yl)carbamate
CID 174677081
methyl N-(1H-indol-2-yl)carbamate
CID 68950849
2-amino-N-(1H-indol-2-yl)acetamide
CID 91622739
N-(1H-indol-2-yl)thiohydroxylamine
CID 152618520
N,N'-bis(1H-indol-2-yl)ethane-1,2-diamine
CID 150229412
2-methyl-1H-indole;oxalic acid
CID 161360574
N-(1H-indol-2-yl)ethanesulfonamide
CID 70353498
N-prop-2-enyl-1H-indol-2-amine
CID 70407223
N-methoxy-1H-indol-2-amine;dihydrobromide
CID 140506917
chloro 1H-indole-2-carboxylate
CID 68813525
1H-indole-2-carbothioic S-acid
CID 4713092
tert-butyl (2R)-2-(1H-indol-2-ylamino)-3-sulfanylpropanoate
CID 175695033

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea?
The IUPAC name of 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea (CID 151637556) is 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea.
What is the SMILES notation for 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea?
The canonical SMILES for 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea is O=C(NNO)NNc1cc2ccccc2[nH]1.
What is the InChIKey of 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea?
The InChIKey is QRVDNGQHBXMHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c15-9(13-14-16)12-11-8-5-6-3-1-2-4-7(6)10-8/h1-5,10-11,14,16H,(H2,12,13,15).
What are the key properties of 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea?
1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea has a molecular weight of 221.22 g/mol, XLogP of 0.69, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)-3-(1H-indol-2-ylamino)urea is sourced from PubChem (CID 151637556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).