N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine

C12H16N4S — CID 62468038

IUPACN-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ncccc1CSc1cnn(C)c1
InChIInChI=1S/C12H16N4S/c1-3-13-12-10(5-4-6-14-12)9-17-11-7-15-16(2)8-11/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeyIVJGQEHYKRZHHX-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.54
Rot. Bonds5

About N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine

N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62468038) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID62468038
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC NameN-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine
SMILESCCNc1ncccc1CSc1cnn(C)c1
InChIInChI=1S/C12H16N4S/c1-3-13-12-10(5-4-6-14-12)9-17-11-7-15-16(2)8-11/h4-8H,3,9H2,1-2H3,(H,13,14)
InChIKeyIVJGQEHYKRZHHX-UHFFFAOYSA-N
XLogP2.54
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-[(1-methylimidazol-2-yl)sulfanylmethyl]pyridin-2-amine
CID 62468721
N-ethyl-3-(ethylsulfanylmethyl)pyridin-2-amine
CID 62466764
3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridine-2-carboximidamide
CID 62895788
methyl 2-[(1-methylpyrazol-4-yl)sulfanylmethyl]benzoate
CID 82975981
2-methyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]aniline
CID 61384653
N-ethyl-2-[(1-methylpyrazol-4-yl)sulfanylmethyl]-4-nitroaniline
CID 62189336
N-ethyl-1-methyl-6-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221979
3-[(4,6-dimethyl-2-pyridinyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 102925843
3-[2-[(1-methylpyrazol-4-yl)sulfanylmethyl]phenyl]prop-2-yn-1-amine
CID 54969971
2-[[2-(ethylamino)-3-pyridinyl]methylsulfanyl]-1H-pyrimidin-6-one
CID 62466779
N-ethyl-3-[(2-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 62467315
[2-(ethylamino)-3-pyridinyl]methanol
CID 62464975

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine (CID 62468038) is N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine is CCNc1ncccc1CSc1cnn(C)c1.
What is the InChIKey of N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is IVJGQEHYKRZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c1-3-13-12-10(5-4-6-14-12)9-17-11-7-15-16(2)8-11/h4-8H,3,9H2,1-2H3,(H,13,14).
What are the key properties of N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine?
N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 248.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[(1-methylpyrazol-4-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62468038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).