1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine

C10H12N6 — CID 142011371

IUPAC1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine
SMILESCC1=CN2C=C(/N=C(\N)NC#N)C=CC2N1
InChIInChI=1S/C10H12N6/c1-7-4-16-5-8(2-3-9(16)14-7)15-10(12)13-6-11/h2-5,9,14H,1H3,(H3,12,13,15)
InChIKeySRTDIVIWLKIJNJ-UHFFFAOYSA-N
MW216.25 g/mol
LogP-0.12
Rot. Bonds1

About 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine

1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine (PubChem CID 142011371) has the molecular formula C10H12N6 and a molecular weight of 216.25 g/mol. Its IUPAC name is 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine
PubChem CID142011371
Molecular FormulaC10H12N6
Molecular Weight216.25 g/mol
Exact Mass216.11
IUPAC Name1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine
SMILESCC1=CN2C=C(/N=C(\N)NC#N)C=CC2N1
InChIInChI=1S/C10H12N6/c1-7-4-16-5-8(2-3-9(16)14-7)15-10(12)13-6-11/h2-5,9,14H,1H3,(H3,12,13,15)
InChIKeySRTDIVIWLKIJNJ-UHFFFAOYSA-N
XLogP-0.12
TPSA89.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.25
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-cyano-1-methyl-1-(2H-pyridin-1-ylmethyl)guanidine
CID 19989950
1-cyano-2-methyl-3-(2H-pyridin-1-ylmethyl)guanidine
CID 23171098
2-Methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 23556697
1-Methyl-2,3-dihydroimidazo[1,5-a]pyridine
CID 89292615
3-Methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 117705182
5-Methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 117705197
2,3-Dimethyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 117828418
1,1,3,3-tetramethyl-2-(1H-pyridin-2-ylidenemethyl)guanidine
CID 121284507
(N-hexa-2,4-dien-3-yl-N'-methylcarbamimidoyl)-methylidene-(1-methyl-2H-pyridin-5-yl)azanium
CID 123392654
1-ethenyl-N-methyl-2,3-dihydroimidazo[1,5-a]pyridin-3-amine
CID 130220530
Ethane;2-methyl-1,8a-dihydroimidazo[1,2-a]pyridine
CID 142123105
1,3-Dimethyl-2,3-dihydroimidazo[1,5-a]pyridine;ethane
CID 142222905

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine?
The IUPAC name of 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine (CID 142011371) is 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine.
What is the SMILES notation for 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine?
The canonical SMILES for 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine is CC1=CN2C=C(/N=C(\N)NC#N)C=CC2N1.
What is the InChIKey of 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine?
The InChIKey is SRTDIVIWLKIJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6/c1-7-4-16-5-8(2-3-9(16)14-7)15-10(12)13-6-11/h2-5,9,14H,1H3,(H3,12,13,15).
What are the key properties of 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine?
1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine has a molecular weight of 216.25 g/mol, XLogP of -0.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(2-methyl-1,8a-dihydroimidazo[1,2-a]pyridin-6-yl)guanidine is sourced from PubChem (CID 142011371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).