6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

C10H9F3N6S — CID 102720149

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H9F3N6S/c11-10(12,13)5-3-7(14)15-8(4-5)20-9-16-17-18-19(9)6-1-2-6/h3-4,6H,1-2H2,(H2,14,15)
InChIKeyRUSGHZFZRYDNOD-UHFFFAOYSA-N
MW302.29 g/mol
LogP2.16
Rot. Bonds3

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102720149) has the molecular formula C10H9F3N6S and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102720149
Molecular FormulaC10H9F3N6S
Molecular Weight302.29 g/mol
Exact Mass302.06
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C10H9F3N6S/c11-10(12,13)5-3-7(14)15-8(4-5)20-9-16-17-18-19(9)6-1-2-6/h3-4,6H,1-2H2,(H2,14,15)
InChIKeyRUSGHZFZRYDNOD-UHFFFAOYSA-N
XLogP2.16
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
CID 114769862
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893511
[6-(1-methyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721387

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine (CID 102720149) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is RUSGHZFZRYDNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N6S/c11-10(12,13)5-3-7(14)15-8(4-5)20-9-16-17-18-19(9)6-1-2-6/h3-4,6H,1-2H2,(H2,14,15).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 302.29 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102720149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).