2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C17H20N6 — CID 137336209

IUPAC2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nnc2n1CC(CNc1nc3c(cc1C#N)CCCC3)C2
InChIInChI=1S/C17H20N6/c1-11-21-22-16-6-12(10-23(11)16)9-19-17-14(8-18)7-13-4-2-3-5-15(13)20-17/h7,12H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyNRTFWUMGECWHBP-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.02
Rot. Bonds3

About 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 137336209) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID137336209
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCc1nnc2n1CC(CNc1nc3c(cc1C#N)CCCC3)C2
InChIInChI=1S/C17H20N6/c1-11-21-22-16-6-12(10-23(11)16)9-19-17-14(8-18)7-13-4-2-3-5-15(13)20-17/h7,12H,2-6,9-10H2,1H3,(H,19,20)
InChIKeyNRTFWUMGECWHBP-UHFFFAOYSA-N
XLogP2.02
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Related Compounds

2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126918702
2-[(4-hydroxycyclohexyl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106130351
2-[(1-ethylpyrrolidin-2-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 60707226
2-(thiolan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 107296218
2-(oxan-3-ylmethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 61038404
2-(3-hydroxypropylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 54940405
2-(2-hydroxyethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 60980187
2-(4-hydroxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 106842232
2-[2-(2-methoxyethylamino)ethylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 83039208
2-(2-ethylsulfinylethylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 115627399
2-[(2-amino-2-methylpropyl)amino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 78954868
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 55207722

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 137336209) is 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is Cc1nnc2n1CC(CNc1nc3c(cc1C#N)CCCC3)C2.
What is the InChIKey of 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is NRTFWUMGECWHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-11-21-22-16-6-12(10-23(11)16)9-19-17-14(8-18)7-13-4-2-3-5-15(13)20-17/h7,12H,2-6,9-10H2,1H3,(H,19,20).
What are the key properties of 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 308.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-6-yl)methylamino]-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 137336209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).