2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

C7H11N3S — CID 83679998

IUPAC2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCn1nc2c(c1N)CCSC2
InChIInChI=1S/C7H11N3S/c1-10-7(8)5-2-3-11-4-6(5)9-10/h2-4,8H2,1H3
InChIKeyDKSKJRVYUQVSOK-UHFFFAOYSA-N
MW169.25 g/mol
LogP0.79
Rot. Bonds

About 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine

2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (PubChem CID 83679998) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.

Molecular Properties

Compound Name2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
PubChem CID83679998
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
SMILESCn1nc2c(c1N)CCSC2
InChIInChI=1S/C7H11N3S/c1-10-7(8)5-2-3-11-4-6(5)9-10/h2-4,8H2,1H3
InChIKeyDKSKJRVYUQVSOK-UHFFFAOYSA-N
XLogP0.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dimethyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazole
CID 58961033
2-tert-butyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465430
2-(oxetan-3-yl)-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105465137
2-phenyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 83871483
2-ethyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-amine
CID 105440802
2-methyl-6,6-dioxo-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine
CID 105453536
2-methyl-4,6-dihydrofuro[3,4-c]pyrazol-3-amine
CID 83679999
3-chloro-2-methyl-4,6-dihydrothieno[3,4-c]pyrazole;ethane
CID 142056542
N-methyl-1-(2-methyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)methanamine
CID 83871582
2-methyl-6-(2,2,2-trifluoroethyl)-4,5,7,8-tetrahydropyrazolo[3,4-d]azepin-3-amine
CID 83919698
5-(aminomethyl)-2-methyl-4,5,6,7-tetrahydroindazol-3-amine
CID 83863716
N-methyl-1-(2-methyl-4,5,7,8-tetrahydrothiepino[4,5-c]pyrazol-3-yl)methanamine
CID 112711780

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The IUPAC name of 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine (CID 83679998) is 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine.
What is the SMILES notation for 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The canonical SMILES for 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is Cn1nc2c(c1N)CCSC2.
What is the InChIKey of 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
The InChIKey is DKSKJRVYUQVSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3S/c1-10-7(8)5-2-3-11-4-6(5)9-10/h2-4,8H2,1H3.
What are the key properties of 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine?
2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine has a molecular weight of 169.25 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,7-dihydro-4H-thiopyrano[3,4-c]pyrazol-3-amine is sourced from PubChem (CID 83679998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).