N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride

C11H16ClN9S — CID 171348080

About N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride

N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride (PubChem CID 171348080) has the molecular formula C11H16ClN9S and a molecular weight of 341.83 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride
• PubChem CID: 171348080
• Molecular Formula: C11H16ClN9S
• Molecular Weight: 341.83 g/mol
• Exact Mass: 341.09
• IUPAC Name: N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride
• SMILES: Cc1cc(Sc2nnnn2CCN(C)C)n2ncnc2n1.Cl
• InChI: InChI=1S/C11H15N9S.ClH/c1-8-6-9(20-10(14-8)12-7-13-20)21-11-15-16-17-19(11)5-4-18(2)3;/h6-7H,4-5H2,1-3H3;1H
• InChIKey: ZENFHQHLYWELPP-UHFFFAOYSA-N
• XLogP: 0.55
• TPSA: 89.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.83
LogP ≤ 5	0.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride?

The IUPAC name of N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride (CID 171348080) is N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride.

What is the SMILES notation for N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride?

The canonical SMILES for N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride is Cc1cc(Sc2nnnn2CCN(C)C)n2ncnc2n1.Cl.

What is the InChIKey of N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride?

The InChIKey is ZENFHQHLYWELPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N9S.ClH/c1-8-6-9(20-10(14-8)12-7-13-20)21-11-15-16-17-19(11)5-4-18(2)3;/h6-7H,4-5H2,1-3H3;1H.

What are the key properties of N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride?

N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride has a molecular weight of 341.83 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[5-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride is sourced from PubChem (CID 171348080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).