(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C18H22N6 — CID 95311283

IUPAC(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2
InChIInChI=1S/C18H22N6/c1-2-17-21-18-8-5-15(12-24(18)22-17)20-11-14-3-6-16(7-4-14)23-10-9-19-13-23/h3-4,6-7,9-10,13,15,20H,2,5,8,11-12H2,1H3/t15-/m1/s1
InChIKeyBCUBDJJORIZVKR-OAHLLOKOSA-N
MW322.42 g/mol
LogP2.13
Rot. Bonds5

About (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95311283) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95311283
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2
InChIInChI=1S/C18H22N6/c1-2-17-21-18-8-5-15(12-24(18)22-17)20-11-14-3-6-16(7-4-14)23-10-9-19-13-23/h3-4,6-7,9-10,13,15,20H,2,5,8,11-12H2,1H3/t15-/m1/s1
InChIKeyBCUBDJJORIZVKR-OAHLLOKOSA-N
XLogP2.13
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034
N-[(4-imidazol-1-ylphenyl)methyl]-3-methoxycyclobutan-1-amine
CID 104587926
4-N-[(4-imidazol-1-ylphenyl)methyl]cyclohexane-1,4-diamine
CID 62318506
N-[(4-butoxy-3-ethoxyphenyl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127553
N-[(4-imidazol-1-ylphenyl)methyl]-1-(pyridin-4-ylmethyl)piperidin-4-amine
CID 51086166
(6S)-2-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95337424
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95340139
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
N-[(4-imidazol-1-ylphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43222635
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
(6R)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95333899
(3R)-N-[(4-imidazol-1-ylphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 95338340

Frequently Asked Questions

What is the IUPAC name of (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95311283) is (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)C[C@H](NCc1ccc(-n3ccnc3)cc1)CC2.
What is the InChIKey of (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is BCUBDJJORIZVKR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-17-21-18-8-5-15(12-24(18)22-17)20-11-14-3-6-16(7-4-14)23-10-9-19-13-23/h3-4,6-7,9-10,13,15,20H,2,5,8,11-12H2,1H3/t15-/m1/s1.
What are the key properties of (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 322.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-2-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95311283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).