N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine

C12H20N6S — CID 104604318

IUPACN-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(Sc2ncnn2C)c1CNC(C)C
InChIInChI=1S/C12H20N6S/c1-8(2)13-6-10-9(3)16-17(4)11(10)19-12-14-7-15-18(12)5/h7-8,13H,6H2,1-5H3
InChIKeyVHPDXVQWTZAKIE-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.51
Rot. Bonds5

About N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 104604318) has the molecular formula C12H20N6S and a molecular weight of 280.40 g/mol. Its IUPAC name is N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID104604318
Molecular FormulaC12H20N6S
Molecular Weight280.40 g/mol
Exact Mass280.15
IUPAC NameN-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCc1nn(C)c(Sc2ncnn2C)c1CNC(C)C
InChIInChI=1S/C12H20N6S/c1-8(2)13-6-10-9(3)16-17(4)11(10)19-12-14-7-15-18(12)5/h7-8,13H,6H2,1-5H3
InChIKeyVHPDXVQWTZAKIE-UHFFFAOYSA-N
XLogP1.51
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-amine
CID 104602839
N-[[5-(2,5-dimethylphenyl)sulfanyl-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63806712
N-[[1,3-dimethyl-5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine
CID 63806368
N-[(1,3-dimethyl-5-propylsulfanylpyrazol-4-yl)methyl]propan-2-amine
CID 63806950
N-[[5-(3-methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 63855625
[3-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylpyrazol-4-yl]methanamine
CID 104604361
N-[(1,3-dimethyl-5-pyrrolidin-1-ylpyrazol-4-yl)methyl]propan-2-amine
CID 43280266
N,N,1,3-tetramethyl-4-[(propan-2-ylamino)methyl]pyrazol-5-amine
CID 43281251
4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-ylbutan-1-amine
CID 104604049
N-[(1,3-dimethyl-5-prop-2-enoxypyrazol-4-yl)methyl]propan-2-amine
CID 115770460
N-[[5-(2-ethylimidazol-1-yl)-1,3-dimethylpyrazol-4-yl]methyl]propan-2-amine
CID 61405309
1-(1,3-dimethyl-5-pyrimidin-2-ylsulfanylpyrazol-4-yl)-N-methylmethanamine
CID 63805670

Frequently Asked Questions

What is the IUPAC name of N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine (CID 104604318) is N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine is Cc1nn(C)c(Sc2ncnn2C)c1CNC(C)C.
What is the InChIKey of N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is VHPDXVQWTZAKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6S/c1-8(2)13-6-10-9(3)16-17(4)11(10)19-12-14-7-15-18(12)5/h7-8,13H,6H2,1-5H3.
What are the key properties of N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 280.40 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1,3-dimethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 104604318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).