2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine

C12H21N7S — CID 82870865

IUPAC2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
SMILESCn1ccc(CSc2nnnn2CCNC(C)(C)C)n1
InChIInChI=1S/C12H21N7S/c1-12(2,3)13-6-8-19-11(14-16-17-19)20-9-10-5-7-18(4)15-10/h5,7,13H,6,8-9H2,1-4H3
InChIKeyDZYZYCUKWMOIOP-UHFFFAOYSA-N
MW295.42 g/mol
LogP1.09
Rot. Bonds6

About 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine

2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine (PubChem CID 82870865) has the molecular formula C12H21N7S and a molecular weight of 295.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
PubChem CID82870865
Molecular FormulaC12H21N7S
Molecular Weight295.42 g/mol
Exact Mass295.16
IUPAC Name2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine
SMILESCn1ccc(CSc2nnnn2CCNC(C)(C)C)n1
InChIInChI=1S/C12H21N7S/c1-12(2,3)13-6-8-19-11(14-16-17-19)20-9-10-5-7-18(4)15-10/h5,7,13H,6,8-9H2,1-4H3
InChIKeyDZYZYCUKWMOIOP-UHFFFAOYSA-N
XLogP1.09
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine (CID 82870865) is 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine is Cn1ccc(CSc2nnnn2CCNC(C)(C)C)n1.
What is the InChIKey of 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
The InChIKey is DZYZYCUKWMOIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N7S/c1-12(2,3)13-6-8-19-11(14-16-17-19)20-9-10-5-7-18(4)15-10/h5,7,13H,6,8-9H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine?
2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine has a molecular weight of 295.42 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[5-[(1-methylpyrazol-3-yl)methylsulfanyl]tetrazol-1-yl]ethyl]propan-2-amine is sourced from PubChem (CID 82870865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).