1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine

C17H20N6 — CID 126808103

IUPAC1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESc1ccc(C(NCc2cnc3n2CCCC3)c2ncn[nH]2)cc1
InChIInChI=1S/C17H20N6/c1-2-6-13(7-3-1)16(17-20-12-21-22-17)19-11-14-10-18-15-8-4-5-9-23(14)15/h1-3,6-7,10,12,16,19H,4-5,8-9,11H2,(H,20,21,22)
InChIKeyVEHPUUOSAQRZSA-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.22
Rot. Bonds5

About 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine

1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 126808103) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID126808103
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine
SMILESc1ccc(C(NCc2cnc3n2CCCC3)c2ncn[nH]2)cc1
InChIInChI=1S/C17H20N6/c1-2-6-13(7-3-1)16(17-20-12-21-22-17)19-11-14-10-18-15-8-4-5-9-23(14)15/h1-3,6-7,10,12,16,19H,4-5,8-9,11H2,(H,20,21,22)
InChIKeyVEHPUUOSAQRZSA-UHFFFAOYSA-N
XLogP2.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1H-imidazol-2-yl)-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 166234216
1-(5-phenylfuran-2-yl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)methanamine
CID 126801465
1-(4-methoxyphenyl)-2-pyridin-3-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)ethanamine
CID 154758179
2-[2-(6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-ylmethylamino)phenyl]ethanol
CID 166306760
1-benzoyl-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]piperidine-4-carboxamide
CID 167793693
1-phenyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 167875395
2-chloro-2-fluoro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)acetamide
CID 167792308
1-phenyl-1-pyridin-4-yl-N-(1H-1,2,4-triazol-5-ylmethyl)methanamine
CID 60979173
1-(benzenesulfonyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperidine-2-carboxamide
CID 138995797
[(4-phenylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]hydrazine
CID 105230368
3-butan-2-yloxy-N-[phenyl(1H-1,2,4-triazol-5-yl)methyl]aniline
CID 126805874
N-[(3-cyclobutylphenyl)-(1H-1,2,4-triazol-5-yl)methyl]ethanamine
CID 114603414

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine (CID 126808103) is 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine is c1ccc(C(NCc2cnc3n2CCCC3)c2ncn[nH]2)cc1.
What is the InChIKey of 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is VEHPUUOSAQRZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-2-6-13(7-3-1)16(17-20-12-21-22-17)19-11-14-10-18-15-8-4-5-9-23(14)15/h1-3,6-7,10,12,16,19H,4-5,8-9,11H2,(H,20,21,22).
What are the key properties of 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine?
1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 308.39 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 126808103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).