1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine

C10H12N6O2 — CID 3913229

IUPAC1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
SMILESNC(=NN=Cc1c[nH]c2ccccc12)NN(O)O
InChIInChI=1S/C10H12N6O2/c11-10(15-16(17)18)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12,17-18H,(H3,11,14,15)
InChIKeyQCNFVYYYORWRDB-UHFFFAOYSA-N
MW248.25 g/mol
LogP0.40
Rot. Bonds3

About 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine

1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine (PubChem CID 3913229) has the molecular formula C10H12N6O2 and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine.

Molecular Properties

Compound Name1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
PubChem CID3913229
Molecular FormulaC10H12N6O2
Molecular Weight248.25 g/mol
Exact Mass248.10
IUPAC Name1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
SMILESNC(=NN=Cc1c[nH]c2ccccc12)NN(O)O
InChIInChI=1S/C10H12N6O2/c11-10(15-16(17)18)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12,17-18H,(H3,11,14,15)
InChIKeyQCNFVYYYORWRDB-UHFFFAOYSA-N
XLogP0.40
TPSA122.26 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 50.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine
CID 136742284
1,2-bis[(Z)-1H-indol-3-ylmethylideneamino]guanidine;hydrochloride
CID 135915344
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
CID 136864979
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 172938324
1,2-bis[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]guanidine
CID 135438347
1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
CID 135801494
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076

Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine?
The IUPAC name of 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine (CID 3913229) is 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine.
What is the SMILES notation for 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine?
The canonical SMILES for 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine is NC(=NN=Cc1c[nH]c2ccccc12)NN(O)O.
What is the InChIKey of 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine?
The InChIKey is QCNFVYYYORWRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2/c11-10(15-16(17)18)14-13-6-7-5-12-9-4-2-1-3-8(7)9/h1-6,12,17-18H,(H3,11,14,15).
What are the key properties of 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine?
1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine has a molecular weight of 248.25 g/mol, XLogP of 0.40, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine is sourced from PubChem (CID 3913229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).