N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine

C16H24N6O2S — CID 136538529

IUPACN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCC(C)c1nnc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)n1C
InChIInChI=1S/C16H24N6O2S/c1-12(2)16-20-19-15(21(16)3)11-18-14-10-13(6-7-17-14)25(23,24)22-8-4-5-9-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyGPSFGKQSLHLTSJ-UHFFFAOYSA-N
MW364.48 g/mol
LogP1.73
Rot. Bonds6

About N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 136538529) has the molecular formula C16H24N6O2S and a molecular weight of 364.48 g/mol. Its IUPAC name is N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID136538529
Molecular FormulaC16H24N6O2S
Molecular Weight364.48 g/mol
Exact Mass364.17
IUPAC NameN-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESCC(C)c1nnc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)n1C
InChIInChI=1S/C16H24N6O2S/c1-12(2)16-20-19-15(21(16)3)11-18-14-10-13(6-7-17-14)25(23,24)22-8-4-5-9-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,18)
InChIKeyGPSFGKQSLHLTSJ-UHFFFAOYSA-N
XLogP1.73
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propanoic acid
CID 122048163
N-ethyl-4-(1,4-thiazepan-4-ylsulfonyl)pyridin-2-amine
CID 62152799
N-ethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
CID 55043507
4-(4-cyclopropylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 62152286
N-methyl-4-(4-propylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 62148755
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 133358464
1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-3-ol
CID 62153093
[1-[[2-(propylamino)-4-pyridinyl]sulfonyl]piperidin-4-yl]methanol
CID 62164530
4-(8-azaspiro[4.5]decan-8-ylsulfonyl)-N-methylpyridin-2-amine
CID 63162051
4-(4-benzylpiperazin-1-yl)sulfonyl-N-ethylpyridin-2-amine
CID 113228640
N-propan-2-yl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268153
1-[[2-(ethylamino)-4-pyridinyl]sulfonyl]pyrrolidin-3-ol
CID 62942337

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 136538529) is N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine is CC(C)c1nnc(CNc2cc(S(=O)(=O)N3CCCC3)ccn2)n1C.
What is the InChIKey of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is GPSFGKQSLHLTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O2S/c1-12(2)16-20-19-15(21(16)3)11-18-14-10-13(6-7-17-14)25(23,24)22-8-4-5-9-22/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,17,18).
What are the key properties of N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 364.48 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 136538529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).