N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine

C9H15N3S — CID 83871582

IUPACN-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
SMILESCNCc1c2c(nn1C)CCSC2
InChIInChI=1S/C9H15N3S/c1-10-5-9-7-6-13-4-3-8(7)11-12(9)2/h10H,3-6H2,1-2H3
InChIKeyPQCAXGCSSFMMEE-UHFFFAOYSA-N
MW197.31 g/mol
LogP0.93
Rot. Bonds2

About N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine

N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine (PubChem CID 83871582) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
PubChem CID83871582
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC NameN-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
SMILESCNCc1c2c(nn1C)CCSC2
InChIInChI=1S/C9H15N3S/c1-10-5-9-7-6-13-4-3-8(7)11-12(9)2/h10H,3-6H2,1-2H3
InChIKeyPQCAXGCSSFMMEE-UHFFFAOYSA-N
XLogP0.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-(2-methyl-4,5,7,8-tetrahydrothiepino[4,5-c]pyrazol-3-yl)methanamine
CID 112711780
N-methyl-1-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methanamine
CID 83862498
2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
CID 105440802
2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83679998
2-methyl-3-(methylaminomethyl)-4,5,6,7-tetrahydroindazol-4-ol
CID 112711209
3-chloro-2-(methylaminomethyl)-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-4-carboxylic acid
CID 82625931
2-propan-2-yl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazole-3-carbonitrile
CID 105461036
2-[2-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105482386
1-methyl-N-[(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]-5,6-dihydro-4H-pyrimidin-2-amine
CID 122096225
N-methyl-1-(2-methylindazol-3-yl)methanamine
CID 84717612
(2,6-dimethyl-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-yl)methanamine
CID 112711134

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
The IUPAC name of N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine (CID 83871582) is N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine is CNCc1c2c(nn1C)CCSC2.
What is the InChIKey of N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
The InChIKey is PQCAXGCSSFMMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c1-10-5-9-7-6-13-4-3-8(7)11-12(9)2/h10H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine?
N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine has a molecular weight of 197.31 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine is sourced from PubChem (CID 83871582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).