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

C13H20ClN9S — CID 171343659

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

N,N-dimethyl-2-[5-[(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride (PubChem CID 171343659) has the molecular formula C13H20ClN9S and a molecular weight of 369.89 g/mol. Its IUPAC name is N,N-dimethyl-2-[5-[(5-propan-2-yl-[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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride
• PubChem CID: 171343659
• Molecular Formula: C13H20ClN9S
• Molecular Weight: 369.89 g/mol
• Exact Mass: 369.13
• IUPAC Name: N,N-dimethyl-2-[5-[(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride
• SMILES: CC(C)c1cc(Sc2nnnn2CCN(C)C)n2ncnc2n1.Cl
• InChI: InChI=1S/C13H19N9S.ClH/c1-9(2)10-7-11(22-12(16-10)14-8-15-22)23-13-17-18-19-21(13)6-5-20(3)4;/h7-9H,5-6H2,1-4H3;1H
• InChIKey: ZOLFLFQCFBITRH-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 89.92 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.89
LogP ≤ 5	1.37
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-propan-2-yl-[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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride (CID 171343659) is N,N-dimethyl-2-[5-[(5-propan-2-yl-[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-propan-2-yl-[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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride is CC(C)c1cc(Sc2nnnn2CCN(C)C)n2ncnc2n1.Cl.

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

The InChIKey is ZOLFLFQCFBITRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N9S.ClH/c1-9(2)10-7-11(22-12(16-10)14-8-15-22)23-13-17-18-19-21(13)6-5-20(3)4;/h7-9H,5-6H2,1-4H3;1H.

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

N,N-dimethyl-2-[5-[(5-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride has a molecular weight of 369.89 g/mol, XLogP of 1.37, 6 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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)sulfanyl]tetrazol-1-yl]ethanamine;hydrochloride is sourced from PubChem (CID 171343659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).