(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

C19H27N5 — CID 124625386

IUPAC(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCC(C)c1nc2n(n1)C[C@@H](N[C@@H]1CCCNc3ccccc31)CC2
InChIInChI=1S/C19H27N5/c1-13(2)19-22-18-10-9-14(12-24(18)23-19)21-17-8-5-11-20-16-7-4-3-6-15(16)17/h3-4,6-7,13-14,17,20-21H,5,8-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyDNCSCXWFDXJCFQ-WMLDXEAASA-N
MW325.46 g/mol
LogP3.25
Rot. Bonds3

About (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine

(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (PubChem CID 124625386) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.

Molecular Properties

Compound Name(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
PubChem CID124625386
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
SMILESCC(C)c1nc2n(n1)C[C@@H](N[C@@H]1CCCNc3ccccc31)CC2
InChIInChI=1S/C19H27N5/c1-13(2)19-22-18-10-9-14(12-24(18)23-19)21-17-8-5-11-20-16-7-4-3-6-15(16)17/h3-4,6-7,13-14,17,20-21H,5,8-12H2,1-2H3/t14-,17+/m0/s1
InChIKeyDNCSCXWFDXJCFQ-WMLDXEAASA-N
XLogP3.25
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

(3R)-3-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]oxolan-2-one
CID 95340427
N-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine
CID 166211008
N-[4-[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]cyclohexyl]acetamide
CID 99634698
2-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 95343247
2-[[[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95351895
N-cyclopropyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105443290
N-(1-benzofuran-2-ylmethyl)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780960
2-[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]-N-pyridin-3-ylacetamide
CID 56780086
N-cyclohexyl-1,2,3,4-tetrahydroquinolin-4-amine
CID 105488657
3-[[(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124039
N-[(5-phenylfuran-2-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127567
(6S)-2-propan-2-yl-N-(2-thiophen-2-ylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607520

Frequently Asked Questions

What is the IUPAC name of (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The IUPAC name of (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine (CID 124625386) is (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine.
What is the SMILES notation for (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The canonical SMILES for (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is CC(C)c1nc2n(n1)C[C@@H](N[C@@H]1CCCNc3ccccc31)CC2.
What is the InChIKey of (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
The InChIKey is DNCSCXWFDXJCFQ-WMLDXEAASA-N. The full InChI is InChI=1S/C19H27N5/c1-13(2)19-22-18-10-9-14(12-24(18)23-19)21-17-8-5-11-20-16-7-4-3-6-15(16)17/h3-4,6-7,13-14,17,20-21H,5,8-12H2,1-2H3/t14-,17+/m0/s1.
What are the key properties of (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine?
(5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine has a molecular weight of 325.46 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-[(6S)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3,4,5-tetrahydro-1H-1-benzazepin-5-amine is sourced from PubChem (CID 124625386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).