N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine

C16H18N6 — CID 163697914

IUPACN-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine
SMILESC=NC(C)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C16H18N6/c1-11(17-2)15-10-22(20-19-15)9-14-8-21-7-13(12-3-4-12)5-6-16(21)18-14/h5-8,10-12H,2-4,9H2,1H3
InChIKeyJYMHSGZNAOOMGK-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.61
Rot. Bonds5

About N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine

N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine (PubChem CID 163697914) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine.

Molecular Properties

Compound NameN-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine
PubChem CID163697914
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine
SMILESC=NC(C)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1
InChIInChI=1S/C16H18N6/c1-11(17-2)15-10-22(20-19-15)9-14-8-21-7-13(12-3-4-12)5-6-16(21)18-14/h5-8,10-12H,2-4,9H2,1H3
InChIKeyJYMHSGZNAOOMGK-UHFFFAOYSA-N
XLogP2.61
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
methyl 3-cyclopropyl-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487985
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-N-[(6R)-3-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-6-yl]triazole-4-carboxamide
CID 156661083
1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(6,7-dihydro-5H-cyclopenta[c]pyridin-3-yl)propan-1-one
CID 159130518
1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]-3-(5-methoxy-2-methylsulfonylphenyl)propan-1-one
CID 160893149
1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylic acid
CID 156762651
(Z)-3-[amino-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]amino]prop-2-ene-1,2-diamine;ethane
CID 165133239
ethyl 2-amino-2-[[2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)acetyl]hydrazinylidene]acetate
CID 150821073
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde
CID 66214365
2-[[4-(2-chloroethyl)triazol-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 55071441
2-(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)-2,2-difluoroacetamide
CID 151599463

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine?
The IUPAC name of N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine (CID 163697914) is N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine.
What is the SMILES notation for N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine?
The canonical SMILES for N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine is C=NC(C)c1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.
What is the InChIKey of N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine?
The InChIKey is JYMHSGZNAOOMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-11(17-2)15-10-22(20-19-15)9-14-8-21-7-13(12-3-4-12)5-6-16(21)18-14/h5-8,10-12H,2-4,9H2,1H3.
What are the key properties of N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine?
N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine has a molecular weight of 294.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazol-4-yl]ethyl]methanimine is sourced from PubChem (CID 163697914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).