N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide

C2H5N5O3 — CID 135534645

IUPACN-[[(E)-N'-nitrocarbamimidoyl]amino]formamide
SMILESN/C(=N\[N+](=O)[O-])NNC=O
InChIInChI=1S/C2H5N5O3/c3-2(5-4-1-8)6-7(9)10/h1H,(H,4,8)(H3,3,5,6)
InChIKeyWJSQTDWNQAHDHP-UHFFFAOYSA-N
MW147.09 g/mol
LogP-2.26
Rot. Bonds3

About N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide

N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide (PubChem CID 135534645) has the molecular formula C2H5N5O3 and a molecular weight of 147.09 g/mol. Its IUPAC name is N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide.

Molecular Properties

Compound NameN-[[(E)-N'-nitrocarbamimidoyl]amino]formamide
PubChem CID135534645
Molecular FormulaC2H5N5O3
Molecular Weight147.09 g/mol
Exact Mass147.04
IUPAC NameN-[[(E)-N'-nitrocarbamimidoyl]amino]formamide
SMILESN/C(=N\[N+](=O)[O-])NNC=O
InChIInChI=1S/C2H5N5O3/c3-2(5-4-1-8)6-7(9)10/h1H,(H,4,8)(H3,3,5,6)
InChIKeyWJSQTDWNQAHDHP-UHFFFAOYSA-N
XLogP-2.26
TPSA122.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.09
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[[4,6-bis[2-[(E)-N'-nitrocarbamimidoyl]hydrazinyl]-1,3,5-triazin-2-yl]amino]-2-nitroguanidine
CID 139262767
1-cyclopentyl-2-nitroguanidine
CID 137263514
methanamine;1-methyl-2-nitroguanidine;2-nitroguanidine;hydrate
CID 172944229
2-[[(E)-N'-nitrocarbamimidoyl]amino]ethylcarbamic acid
CID 155227498
N'-nitroethanimidamide
CID 90887679
N-(1-aminoethenylamino)formamide
CID 45371728
1-butyl-2-nitroguanidine
CID 135996675
1-(2-methylbut-3-yn-2-yl)-2-nitroguanidine
CID 135900700
1-[(5-nitramido-1H-1,2,4-triazol-3-yl)methylamino]-2-nitroguanidine
CID 137225780
1-[[2-(3,5-dimethylpyrazol-1-yl)-2-oxoacetyl]amino]-2-nitroguanidine
CID 135468902
N-[2-[[(E)-C,N-dinitrocarbonimidoyl]amino]hydrazinyl]-N',1-dinitro-N-oxido-N-oxomethanimidamide
CID 137229387
N-[4-[[(Z)-N'-nitrocarbamimidoyl]amino]phenyl]cyclohexanecarboxamide
CID 136665437

Frequently Asked Questions

What is the IUPAC name of N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide?
The IUPAC name of N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide (CID 135534645) is N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide.
What is the SMILES notation for N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide?
The canonical SMILES for N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide is N/C(=N\[N+](=O)[O-])NNC=O.
What is the InChIKey of N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide?
The InChIKey is WJSQTDWNQAHDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N5O3/c3-2(5-4-1-8)6-7(9)10/h1H,(H,4,8)(H3,3,5,6).
What are the key properties of N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide?
N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide has a molecular weight of 147.09 g/mol, XLogP of -2.26, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(E)-N'-nitrocarbamimidoyl]amino]formamide is sourced from PubChem (CID 135534645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).