1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine

C9H13N5O3 — CID 3802912

IUPAC1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)NN(O)O)cc1
InChIInChI=1S/C9H13N5O3/c1-17-8-4-2-7(3-5-8)6-11-12-9(10)13-14(15)16/h2-6,15-16H,1H3,(H3,10,12,13)
InChIKeyCRUVBRFZOLUMSX-UHFFFAOYSA-N
MW239.24 g/mol
LogP-0.07
Rot. Bonds4

About 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine

1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine (PubChem CID 3802912) has the molecular formula C9H13N5O3 and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
PubChem CID3802912
Molecular FormulaC9H13N5O3
Molecular Weight239.24 g/mol
Exact Mass239.10
IUPAC Name1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine
SMILESCOc1ccc(C=NN=C(N)NN(O)O)cc1
InChIInChI=1S/C9H13N5O3/c1-17-8-4-2-7(3-5-8)6-11-12-9(10)13-14(15)16/h2-6,15-16H,1H3,(H3,10,12,13)
InChIKeyCRUVBRFZOLUMSX-UHFFFAOYSA-N
XLogP-0.07
TPSA115.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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[(E)-(4-methoxyphenyl)methylideneamino]guanidine
CID 54753081
1-[(E)-(4-methoxyphenyl)methylideneamino]-2-[(Z)-(4-methoxyphenyl)methylideneamino]guanidine
CID 119080623
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
2-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1-(methylideneamino)guanidine
CID 174022405
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
(4-fluorophenyl)methyl N'-[(4-methoxyphenyl)methylideneamino]carbamimidothioate
CID 91970358
1,2-bis[(E)-(3-methoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 86279917
N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 2590460
1-carbamothioyl-3-[(4-methoxyphenyl)methylidene]thiourea
CID 3769571
2-[(E)-(4-butoxyphenyl)methylideneamino]-1-[(E)-(4-pentoxyphenyl)methylideneamino]guanidine
CID 172923446
1,2-bis[(E)-[4-(4-propylphenoxy)phenyl]methylideneamino]guanidine
CID 172983389
bis([(Z)-C-(2-hydroxyphenyl)-N-[(4-methoxyphenyl)methylideneamino]carbonimidoyl]oxidanium);nickel(2+)
CID 135752302

Frequently Asked Questions

What is the IUPAC name of 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine?
The IUPAC name of 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine (CID 3802912) is 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine is COc1ccc(C=NN=C(N)NN(O)O)cc1.
What is the InChIKey of 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine?
The InChIKey is CRUVBRFZOLUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-17-8-4-2-7(3-5-8)6-11-12-9(10)13-14(15)16/h2-6,15-16H,1H3,(H3,10,12,13).
What are the key properties of 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine?
1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine has a molecular weight of 239.24 g/mol, XLogP of -0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dihydroxyamino)-2-[(4-methoxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 3802912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).