1-(hydroxyamino)-1-methyl-2-nitroguanidine

C2H7N5O3 — CID 135545577

IUPAC1-(hydroxyamino)-1-methyl-2-nitroguanidine
SMILESCN(NO)C(N)=N[N+](=O)[O-]
InChIInChI=1S/C2H7N5O3/c1-6(5-8)2(3)4-7(9)10/h5,8H,1H3,(H2,3,4)
InChIKeyCSQWOPHPTXCGQD-UHFFFAOYSA-N
MW149.11 g/mol
LogP-1.68
Rot. Bonds2

About 1-(hydroxyamino)-1-methyl-2-nitroguanidine

1-(hydroxyamino)-1-methyl-2-nitroguanidine (PubChem CID 135545577) has the molecular formula C2H7N5O3 and a molecular weight of 149.11 g/mol. Its IUPAC name is 1-(hydroxyamino)-1-methyl-2-nitroguanidine.

Molecular Properties

Compound Name1-(hydroxyamino)-1-methyl-2-nitroguanidine
PubChem CID135545577
Molecular FormulaC2H7N5O3
Molecular Weight149.11 g/mol
Exact Mass149.05
IUPAC Name1-(hydroxyamino)-1-methyl-2-nitroguanidine
SMILESCN(NO)C(N)=N[N+](=O)[O-]
InChIInChI=1S/C2H7N5O3/c1-6(5-8)2(3)4-7(9)10/h5,8H,1H3,(H2,3,4)
InChIKeyCSQWOPHPTXCGQD-UHFFFAOYSA-N
XLogP-1.68
TPSA117.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
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': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromoethyl)-1-(hydroxyamino)-2-nitroguanidine
CID 135467398
2-nitro-1-propyl-1-[(E)-propylideneamino]guanidine
CID 57415329
N'-nitroethanimidamide
CID 90887679
1-ethyl-2-nitro-1-nitrosoguanidine
CID 20238
[azido-(N'-nitrocarbamimidoyl)amino]urea
CID 154101531
methyl N,N-dimethyl-N'-nitrocarbamimidothioate
CID 73470834
methyl N-methyl-N-methylsulfonyl-N'-nitrocarbamimidothioate
CID 19786851
methyl N-methyl-N-[[(N'-nitrocarbamimidoyl)amino]methyl]carbamate
CID 135498149
methanamine;1-methyl-2-nitroguanidine;2-nitroguanidine;hydrate
CID 172944229
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
1-amino-3-methyl-2-nitroguanidine
CID 175201696
(1Z)-N-nitroethanimidate
CID 22649980

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxyamino)-1-methyl-2-nitroguanidine?
The IUPAC name of 1-(hydroxyamino)-1-methyl-2-nitroguanidine (CID 135545577) is 1-(hydroxyamino)-1-methyl-2-nitroguanidine.
What is the SMILES notation for 1-(hydroxyamino)-1-methyl-2-nitroguanidine?
The canonical SMILES for 1-(hydroxyamino)-1-methyl-2-nitroguanidine is CN(NO)C(N)=N[N+](=O)[O-].
What is the InChIKey of 1-(hydroxyamino)-1-methyl-2-nitroguanidine?
The InChIKey is CSQWOPHPTXCGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5O3/c1-6(5-8)2(3)4-7(9)10/h5,8H,1H3,(H2,3,4).
What are the key properties of 1-(hydroxyamino)-1-methyl-2-nitroguanidine?
1-(hydroxyamino)-1-methyl-2-nitroguanidine has a molecular weight of 149.11 g/mol, XLogP of -1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxyamino)-1-methyl-2-nitroguanidine is sourced from PubChem (CID 135545577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).