N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

C10H11F3N6S — CID 102720216

IUPACN-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Sc2nnnn2C)n1
InChIInChI=1S/C10H11F3N6S/c1-3-14-7-4-6(10(11,12)13)5-8(15-7)20-9-16-17-18-19(9)2/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyRLPRABRZMPMYCS-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.21
Rot. Bonds4

About N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720216) has the molecular formula C10H11F3N6S and a molecular weight of 304.30 g/mol. Its IUPAC name is N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720216
Molecular FormulaC10H11F3N6S
Molecular Weight304.30 g/mol
Exact Mass304.07
IUPAC NameN-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESCCNc1cc(C(F)(F)F)cc(Sc2nnnn2C)n1
InChIInChI=1S/C10H11F3N6S/c1-3-14-7-4-6(10(11,12)13)5-8(15-7)20-9-16-17-18-19(9)2/h4-5H,3H2,1-2H3,(H,14,15)
InChIKeyRLPRABRZMPMYCS-UHFFFAOYSA-N
XLogP2.21
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanylpyrazin-2-amine
CID 78990345
3-[[6-(ethylamino)-4-(trifluoromethyl)-2-pyridinyl]sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 102720320
N-ethyl-6-phenylsulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720209
N-ethyl-6-(4-methylphenyl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720227
N-ethyl-6-(1,3,4-thiadiazol-2-ylsulfanyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102720155
6-cyclohexylsulfanyl-N-ethyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720274
N-ethyl-6-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775301
2-fluoro-4-methyl-6-(1-methyltetrazol-5-yl)sulfanylpyrimidine
CID 164645832
[6-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721368
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
2-N-ethyl-6-N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718481

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720216) is N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is CCNc1cc(C(F)(F)F)cc(Sc2nnnn2C)n1.
What is the InChIKey of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RLPRABRZMPMYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6S/c1-3-14-7-4-6(10(11,12)13)5-8(15-7)20-9-16-17-18-19(9)2/h4-5H,3H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 304.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).