8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C11H13BrN4S — CID 114116773

IUPAC8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCSC1(CNc2nc3c(Br)cccn3n2)CC1
InChIInChI=1S/C11H13BrN4S/c1-17-11(4-5-11)7-13-10-14-9-8(12)3-2-6-16(9)15-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyYPOPNVDGMLIQPV-UHFFFAOYSA-N
MW313.22 g/mol
LogP2.80
Rot. Bonds4

About 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 114116773) has the molecular formula C11H13BrN4S and a molecular weight of 313.22 g/mol. Its IUPAC name is 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID114116773
Molecular FormulaC11H13BrN4S
Molecular Weight313.22 g/mol
Exact Mass312.00
IUPAC Name8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCSC1(CNc2nc3c(Br)cccn3n2)CC1
InChIInChI=1S/C11H13BrN4S/c1-17-11(4-5-11)7-13-10-14-9-8(12)3-2-6-16(9)15-10/h2-3,6H,4-5,7H2,1H3,(H,13,15)
InChIKeyYPOPNVDGMLIQPV-UHFFFAOYSA-N
XLogP2.80
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 114116773) is 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CSC1(CNc2nc3c(Br)cccn3n2)CC1.
What is the InChIKey of 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YPOPNVDGMLIQPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4S/c1-17-11(4-5-11)7-13-10-14-9-8(12)3-2-6-16(9)15-10/h2-3,6H,4-5,7H2,1H3,(H,13,15).
What are the key properties of 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 313.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-[(1-methylsulfanylcyclopropyl)methyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 114116773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).