1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid

C16H16N6O3 — CID 135802071

IUPAC1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N(/N=C\c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N5.HNO3/c17-16(18)21(13-6-2-1-3-7-13)20-11-12-10-19-15-9-5-4-8-14(12)15;2-1(3)4/h1-11,19H,(H3,17,18);(H,2,3,4)/b20-11-;
InChIKeyMSLCOBYQWBCAJE-FZLYBSHOSA-N
MW340.34 g/mol
LogP2.55
Rot. Bonds3

About 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid

1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid (PubChem CID 135802071) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid.

Molecular Properties

Compound Name1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid
PubChem CID135802071
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid
SMILESO=[N+]([O-])O.[H]/N=C(\N)N(/N=C\c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C16H15N5.HNO3/c17-16(18)21(13-6-2-1-3-7-13)20-11-12-10-19-15-9-5-4-8-14(12)15;2-1(3)4/h1-11,19H,(H3,17,18);(H,2,3,4)/b20-11-;
InChIKeyMSLCOBYQWBCAJE-FZLYBSHOSA-N
XLogP2.55
TPSA144.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine
CID 135801494
N-[(E)-1H-indol-3-ylmethylideneamino]-N-methylaniline
CID 135571922
N-benzyl-N-[(E)-1H-indol-3-ylmethylideneamino]aniline
CID 135717367
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
1-(dihydroxyamino)-2-(1H-indol-3-ylmethylideneamino)guanidine
CID 3913229
1-[(Z)-1H-indol-3-ylmethylideneamino]-2-phenylguanidine
CID 136864979
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
(2Z)-2-[(E)-1H-indol-3-ylmethylidenehydrazinylidene]-1,2-diphenylethanone
CID 135583243
zinc bis(3-(1H-indol-3-ylmethylideneamino)propanoate)
CID 135870278
(NZ)-N-(1H-indol-3-ylmethylidene)-4-methylbenzenesulfonamide
CID 136873762

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid?
The IUPAC name of 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid (CID 135802071) is 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid.
What is the SMILES notation for 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid?
The canonical SMILES for 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid is O=[N+]([O-])O.[H]/N=C(\N)N(/N=C\c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid?
The InChIKey is MSLCOBYQWBCAJE-FZLYBSHOSA-N. The full InChI is InChI=1S/C16H15N5.HNO3/c17-16(18)21(13-6-2-1-3-7-13)20-11-12-10-19-15-9-5-4-8-14(12)15;2-1(3)4/h1-11,19H,(H3,17,18);(H,2,3,4)/b20-11-;.
What are the key properties of 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid?
1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid has a molecular weight of 340.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1H-indol-3-ylmethylideneamino]-1-phenylguanidine;nitric acid is sourced from PubChem (CID 135802071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).