N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide

C8H8N4 — CID 144559850

IUPACN'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide
SMILESN/C=N\c1cc2cnccc2[nH]1
InChIInChI=1S/C8H8N4/c9-5-11-8-3-6-4-10-2-1-7(6)12-8/h1-5,12H,(H2,9,11)
InChIKeyYXYPGSBEYSNAIA-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.18
Rot. Bonds1

About N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide

N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide (PubChem CID 144559850) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide
PubChem CID144559850
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC NameN'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide
SMILESN/C=N\c1cc2cnccc2[nH]1
InChIInChI=1S/C8H8N4/c9-5-11-8-3-6-4-10-2-1-7(6)12-8/h1-5,12H,(H2,9,11)
InChIKeyYXYPGSBEYSNAIA-UHFFFAOYSA-N
XLogP1.18
TPSA67.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.18
H-Bond Donors ≤ 52
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 N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide?
The IUPAC name of N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide (CID 144559850) is N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide.
What is the SMILES notation for N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide?
The canonical SMILES for N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide is N/C=N\c1cc2cnccc2[nH]1.
What is the InChIKey of N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide?
The InChIKey is YXYPGSBEYSNAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-5-11-8-3-6-4-10-2-1-7(6)12-8/h1-5,12H,(H2,9,11).
What are the key properties of N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide?
N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide has a molecular weight of 160.18 g/mol, XLogP of 1.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-pyrrolo[3,2-c]pyridin-2-yl)methanimidamide is sourced from PubChem (CID 144559850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).