1-amino-3-methyl-2-nitroguanidine

C2H7N5O2 — CID 175201696

IUPAC1-amino-3-methyl-2-nitroguanidine
SMILESCNC(=N[N+](=O)[O-])NN
InChIInChI=1S/C2H7N5O2/c1-4-2(5-3)6-7(8)9/h3H2,1H3,(H2,4,5,6)
InChIKeyYGMDYWLVXGCICY-UHFFFAOYSA-N
MW133.11 g/mol
LogP-1.78
Rot. Bonds1

About 1-amino-3-methyl-2-nitroguanidine

1-amino-3-methyl-2-nitroguanidine (PubChem CID 175201696) has the molecular formula C2H7N5O2 and a molecular weight of 133.11 g/mol. Its IUPAC name is 1-amino-3-methyl-2-nitroguanidine.

Molecular Properties

Compound Name1-amino-3-methyl-2-nitroguanidine
PubChem CID175201696
Molecular FormulaC2H7N5O2
Molecular Weight133.11 g/mol
Exact Mass133.06
IUPAC Name1-amino-3-methyl-2-nitroguanidine
SMILESCNC(=N[N+](=O)[O-])NN
InChIInChI=1S/C2H7N5O2/c1-4-2(5-3)6-7(8)9/h3H2,1H3,(H2,4,5,6)
InChIKeyYGMDYWLVXGCICY-UHFFFAOYSA-N
XLogP-1.78
TPSA105.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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'}

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Related Compounds

1-methyl-2-nitro-3-propan-2-ylguanidine
CID 136651170
1-ethyl-3-methyl-2-nitroguanidine;molecular iodine
CID 172972089
methyl N-methyl-N'-nitrocarbamimidate
CID 135581711
methanamine;1-methyl-2-nitroguanidine;2-nitroguanidine;hydrate
CID 172944229
N'-nitroethanimidamide
CID 90887679
1-(6-chloro-3-pyridinyl)-3-methyl-2-nitroguanidine
CID 177457782
1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine;urea
CID 137222702
1-[(2-chlorotriazol-4-yl)methyl]-3-methyl-2-nitroguanidine
CID 142628325
(1Z)-N-nitroethanimidate
CID 22649980
1-[(6-chloro-3-pyridinyl)methyl]-3-methyl-2-nitroguanidine
CID 135537100
1-(hydroxyamino)-1-methyl-2-nitroguanidine
CID 135545577
N-methylmethanamine;nitric acid
CID 13379149

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methyl-2-nitroguanidine?
The IUPAC name of 1-amino-3-methyl-2-nitroguanidine (CID 175201696) is 1-amino-3-methyl-2-nitroguanidine.
What is the SMILES notation for 1-amino-3-methyl-2-nitroguanidine?
The canonical SMILES for 1-amino-3-methyl-2-nitroguanidine is CNC(=N[N+](=O)[O-])NN.
What is the InChIKey of 1-amino-3-methyl-2-nitroguanidine?
The InChIKey is YGMDYWLVXGCICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N5O2/c1-4-2(5-3)6-7(8)9/h3H2,1H3,(H2,4,5,6).
What are the key properties of 1-amino-3-methyl-2-nitroguanidine?
1-amino-3-methyl-2-nitroguanidine has a molecular weight of 133.11 g/mol, XLogP of -1.78, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methyl-2-nitroguanidine is sourced from PubChem (CID 175201696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).