1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine

C11H15N7 — CID 134604131

IUPAC1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCc1c[nH]c2ncccc12
InChIInChI=1S/C11H15N7/c12-10(13)18-11(14)16-5-3-7-6-17-9-8(7)2-1-4-15-9/h1-2,4,6H,3,5H2,(H,15,17)(H6,12,13,14,16,18)
InChIKeyMMIQTTVMIOUPSF-UHFFFAOYSA-N
MW245.29 g/mol
LogP-0.31
Rot. Bonds3

About 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine

1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine (PubChem CID 134604131) has the molecular formula C11H15N7 and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
PubChem CID134604131
Molecular FormulaC11H15N7
Molecular Weight245.29 g/mol
Exact Mass245.14
IUPAC Name1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine
SMILESNC(N)=N/C(N)=N/CCc1c[nH]c2ncccc12
InChIInChI=1S/C11H15N7/c12-10(13)18-11(14)16-5-3-7-6-17-9-8(7)2-1-4-15-9/h1-2,4,6H,3,5H2,(H,15,17)(H6,12,13,14,16,18)
InChIKeyMMIQTTVMIOUPSF-UHFFFAOYSA-N
XLogP-0.31
TPSA131.46 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine (CID 134604131) is 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine is NC(N)=N/C(N)=N/CCc1c[nH]c2ncccc12.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
The InChIKey is MMIQTTVMIOUPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7/c12-10(13)18-11(14)16-5-3-7-6-17-9-8(7)2-1-4-15-9/h1-2,4,6H,3,5H2,(H,15,17)(H6,12,13,14,16,18).
What are the key properties of 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine?
1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine has a molecular weight of 245.29 g/mol, XLogP of -0.31, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]guanidine is sourced from PubChem (CID 134604131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).