(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine

C9H16N4 — CID 82408779

IUPAC(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine
SMILESC[C@H](N)c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C9H16N4/c1-6(10)9-7-5-13(2)4-3-8(7)11-12-9/h6H,3-5,10H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyVEFOVWFYOYKGOJ-LURJTMIESA-N
MW180.25 g/mol
LogP0.42
Rot. Bonds1

About (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine

(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine (PubChem CID 82408779) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine
PubChem CID82408779
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine
SMILESC[C@H](N)c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C9H16N4/c1-6(10)9-7-5-13(2)4-3-8(7)11-12-9/h6H,3-5,10H2,1-2H3,(H,11,12)/t6-/m0/s1
InChIKeyVEFOVWFYOYKGOJ-LURJTMIESA-N
XLogP0.42
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)propan-1-amine
CID 83859154
(1S)-1-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethanamine
CID 82414484
(1S)-1-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)ethanamine
CID 82413745
5-methyl-3-(trifluoromethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
CID 91926999
4-[(1S)-1-aminoethyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 83859124
N-cyclopropyl-5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-amine
CID 83863232
6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carbaldehyde
CID 83862963
4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)benzoic acid
CID 110540115
(2R)-2-amino-1-(3-benzhydryl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one
CID 56759223
5-methyl-3-[4-(trifluoromethyl)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585641
2,6-dibromo-4-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 136781793
5-methyl-3-(phenoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82585612

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine?
The IUPAC name of (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine (CID 82408779) is (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine is C[C@H](N)c1n[nH]c2c1CN(C)CC2.
What is the InChIKey of (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine?
The InChIKey is VEFOVWFYOYKGOJ-LURJTMIESA-N. The full InChI is InChI=1S/C9H16N4/c1-6(10)9-7-5-13(2)4-3-8(7)11-12-9/h6H,3-5,10H2,1-2H3,(H,11,12)/t6-/m0/s1.
What are the key properties of (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine?
(1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine has a molecular weight of 180.25 g/mol, XLogP of 0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)ethanamine is sourced from PubChem (CID 82408779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).