1-(diaminomethylideneamino)-2-hydroxyguanidine

C2H8N6O — CID 176534885

IUPAC1-(diaminomethylideneamino)-2-hydroxyguanidine
SMILESNC(N)=NNC(N)=NO
InChIInChI=1S/C2H8N6O/c3-1(4)6-7-2(5)8-9/h9H,(H4,3,4,6)(H3,5,7,8)
InChIKeyYVBYHPWZWYEZTF-UHFFFAOYSA-N
MW132.13 g/mol
LogP-2.53
Rot. Bonds1

About 1-(diaminomethylideneamino)-2-hydroxyguanidine

1-(diaminomethylideneamino)-2-hydroxyguanidine (PubChem CID 176534885) has the molecular formula C2H8N6O and a molecular weight of 132.13 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-2-hydroxyguanidine.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-2-hydroxyguanidine
PubChem CID176534885
Molecular FormulaC2H8N6O
Molecular Weight132.13 g/mol
Exact Mass132.08
IUPAC Name1-(diaminomethylideneamino)-2-hydroxyguanidine
SMILESNC(N)=NNC(N)=NO
InChIInChI=1S/C2H8N6O/c3-1(4)6-7-2(5)8-9/h9H,(H4,3,4,6)(H3,5,7,8)
InChIKeyYVBYHPWZWYEZTF-UHFFFAOYSA-N
XLogP-2.53
TPSA135.04 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.13
LogP ≤ 5-2.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-2-hydroxyguanidine?
The IUPAC name of 1-(diaminomethylideneamino)-2-hydroxyguanidine (CID 176534885) is 1-(diaminomethylideneamino)-2-hydroxyguanidine.
What is the SMILES notation for 1-(diaminomethylideneamino)-2-hydroxyguanidine?
The canonical SMILES for 1-(diaminomethylideneamino)-2-hydroxyguanidine is NC(N)=NNC(N)=NO.
What is the InChIKey of 1-(diaminomethylideneamino)-2-hydroxyguanidine?
The InChIKey is YVBYHPWZWYEZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N6O/c3-1(4)6-7-2(5)8-9/h9H,(H4,3,4,6)(H3,5,7,8).
What are the key properties of 1-(diaminomethylideneamino)-2-hydroxyguanidine?
1-(diaminomethylideneamino)-2-hydroxyguanidine has a molecular weight of 132.13 g/mol, XLogP of -2.53, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-2-hydroxyguanidine is sourced from PubChem (CID 176534885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).