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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Related Compounds

2-(5-but-2-enylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 77104131
5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1-(oxolan-2-ylmethyl)tetrazole
CID 87009371
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
2-(5-cycloheptylsulfanyltetrazol-1-yl)-N-methylethanamine
CID 82923934
N-[2-[5-(2-propan-2-ylsulfanylethylsulfanyl)tetrazol-1-yl]ethyl]propan-2-amine
CID 114268875
2-[5-[(5-fluoro-2-methylphenyl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 105375397
2-[5-[(5,5-dimethyloxolan-2-yl)methylsulfanyl]tetrazol-1-yl]-N-methylethanamine
CID 116524165
2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol
CID 103721509
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
2-[5-[2-[1-[2-(dimethylamino)ethyl]tetrazol-5-yl]sulfanylethylsulfanyl]tetrazol-1-yl]-N,N-dimethylethanamine
CID 146534466
3-benzyl-4-ethyl-5-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole
CID 87009317
4-cyclopropyl-3-[3-(1-methylpyrazol-4-yl)propylsulfanyl]-1,2,4-triazole
CID 87009382

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).