N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine

C10H13N5S — CID 104605019

IUPACN-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
SMILESCCNc1cc(Sc2ncnn2C)ccn1
InChIInChI=1S/C10H13N5S/c1-3-11-9-6-8(4-5-12-9)16-10-13-7-14-15(10)2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyUNBKVAMVEXOBCI-UHFFFAOYSA-N
MW235.32 g/mol
LogP1.79
Rot. Bonds4

About N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine

N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine (PubChem CID 104605019) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
PubChem CID104605019
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC NameN-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
SMILESCCNc1cc(Sc2ncnn2C)ccn1
InChIInChI=1S/C10H13N5S/c1-3-11-9-6-8(4-5-12-9)16-10-13-7-14-15(10)2/h4-7H,3H2,1-2H3,(H,11,12)
InChIKeyUNBKVAMVEXOBCI-UHFFFAOYSA-N
XLogP1.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine
CID 104604869
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-2-amine
CID 104604948
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775301
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N-propylpyridin-2-amine
CID 113368229
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridin-2-amine
CID 104605012
2-(ethoxymethyl)-N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyrimidin-4-amine
CID 104605005
N-ethyl-4-(3-methylbutan-2-ylsulfanyl)pyridin-2-amine
CID 107765564
N-ethyl-1-[2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-pyridinyl]ethanamine
CID 113431753
1-[2-bromo-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]-N-methylmethanamine
CID 114061124
[2-methyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]methanol
CID 104604395
N-ethyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrazin-2-amine
CID 103060394
2-methyl-3-[[2-(propylamino)-4-pyridinyl]sulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107785267

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine (CID 104605019) is N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine is CCNc1cc(Sc2ncnn2C)ccn1.
What is the InChIKey of N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
The InChIKey is UNBKVAMVEXOBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c1-3-11-9-6-8(4-5-12-9)16-10-13-7-14-15(10)2/h4-7H,3H2,1-2H3,(H,11,12).
What are the key properties of N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine?
N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine has a molecular weight of 235.32 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 104605019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).