N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine

C10H17N7S — CID 103015642

IUPACN-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCNCCn1nnnc1SCCc1cnn(C)c1
InChIInChI=1S/C10H17N7S/c1-11-4-5-17-10(13-14-15-17)18-6-3-9-7-12-16(2)8-9/h7-8,11H,3-6H2,1-2H3
InChIKeyULIPKGYPZOSADW-UHFFFAOYSA-N
MW267.36 g/mol
LogP-0.04
Rot. Bonds7

About N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine

N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine (PubChem CID 103015642) has the molecular formula C10H17N7S and a molecular weight of 267.36 g/mol. Its IUPAC name is N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
PubChem CID103015642
Molecular FormulaC10H17N7S
Molecular Weight267.36 g/mol
Exact Mass267.13
IUPAC NameN-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine
SMILESCNCCn1nnnc1SCCc1cnn(C)c1
InChIInChI=1S/C10H17N7S/c1-11-4-5-17-10(13-14-15-17)18-6-3-9-7-12-16(2)8-9/h7-8,11H,3-6H2,1-2H3
InChIKeyULIPKGYPZOSADW-UHFFFAOYSA-N
XLogP-0.04
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine (CID 103015642) is N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine is CNCCn1nnnc1SCCc1cnn(C)c1.
What is the InChIKey of N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
The InChIKey is ULIPKGYPZOSADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N7S/c1-11-4-5-17-10(13-14-15-17)18-6-3-9-7-12-16(2)8-9/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine?
N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine has a molecular weight of 267.36 g/mol, XLogP of -0.04, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]tetrazol-1-yl]ethanamine is sourced from PubChem (CID 103015642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).