1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine

C11H19N9 — CID 176529065

IUPAC1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
SMILES[H]/N=C(\N)NN=C(C)C1=CN(C(C)=NN=C(N)N)CC=C1
InChIInChI=1S/C11H19N9/c1-7(16-18-10(12)13)9-4-3-5-20(6-9)8(2)17-19-11(14)15/h3-4,6H,5H2,1-2H3,(H4,12,13,18)(H4,14,15,19)
InChIKeyXBDRWNDVDPGGFK-UHFFFAOYSA-N
MW277.34 g/mol
LogP-0.79
Rot. Bonds3

About 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine

1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine (PubChem CID 176529065) has the molecular formula C11H19N9 and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine.

Molecular Properties

Compound Name1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
PubChem CID176529065
Molecular FormulaC11H19N9
Molecular Weight277.34 g/mol
Exact Mass277.18
IUPAC Name1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine
SMILES[H]/N=C(\N)NN=C(C)C1=CN(C(C)=NN=C(N)N)CC=C1
InChIInChI=1S/C11H19N9/c1-7(16-18-10(12)13)9-4-3-5-20(6-9)8(2)17-19-11(14)15/h3-4,6H,5H2,1-2H3,(H4,12,13,18)(H4,14,15,19)
InChIKeyXBDRWNDVDPGGFK-UHFFFAOYSA-N
XLogP-0.79
TPSA154.26 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
The IUPAC name of 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine (CID 176529065) is 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine.
What is the SMILES notation for 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
The canonical SMILES for 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine is [H]/N=C(\N)NN=C(C)C1=CN(C(C)=NN=C(N)N)CC=C1.
What is the InChIKey of 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
The InChIKey is XBDRWNDVDPGGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N9/c1-7(16-18-10(12)13)9-4-3-5-20(6-9)8(2)17-19-11(14)15/h3-4,6H,5H2,1-2H3,(H4,12,13,18)(H4,14,15,19).
What are the key properties of 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine?
1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine has a molecular weight of 277.34 g/mol, XLogP of -0.79, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2H-pyridin-5-yl]ethylideneamino]guanidine is sourced from PubChem (CID 176529065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).