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

C16H19FN6 — CID 95336823

IUPAC(6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCn1c(CN[C@@H]2CCc3ncnn3C2)nc2cc(F)ccc21
InChIInChI=1S/C16H19FN6/c1-2-22-14-5-3-11(17)7-13(14)21-16(22)8-18-12-4-6-15-19-10-20-23(15)9-12/h3,5,7,10,12,18H,2,4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyNTVMWWOEYHIVEV-GFCCVEGCSA-N
MW314.37 g/mol
LogP1.89
Rot. Bonds4

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

(6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95336823) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95336823
Molecular FormulaC16H19FN6
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name(6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCn1c(CN[C@@H]2CCc3ncnn3C2)nc2cc(F)ccc21
InChIInChI=1S/C16H19FN6/c1-2-22-14-5-3-11(17)7-13(14)21-16(22)8-18-12-4-6-15-19-10-20-23(15)9-12/h3,5,7,10,12,18H,2,4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyNTVMWWOEYHIVEV-GFCCVEGCSA-N
XLogP1.89
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

N-[(1-ethyl-6-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 55068076
N-[(5-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 60835697
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
(3S)-3-cyclopropyl-3-[(1-ethyl-5-fluorobenzimidazol-2-yl)methylamino]propan-1-ol
CID 97307223
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
N-[(1-cyclopropyl-5-fluorobenzimidazol-2-yl)methyl]cyclopentanamine
CID 60836872
N-[(6-fluoro-1-propylbenzimidazol-2-yl)methyl]cyclopropanamine
CID 62378276
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895
2-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-1-ethyl-5-fluorobenzimidazole
CID 79612176
(6S)-N-[[2-(cyclopropylmethoxy)phenyl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291185
(6S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95336530

Frequently Asked Questions

What is the IUPAC name of (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95336823) is (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCn1c(CN[C@@H]2CCc3ncnn3C2)nc2cc(F)ccc21.
What is the InChIKey of (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is NTVMWWOEYHIVEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19FN6/c1-2-22-14-5-3-11(17)7-13(14)21-16(22)8-18-12-4-6-15-19-10-20-23(15)9-12/h3,5,7,10,12,18H,2,4,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 314.37 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95336823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).