N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine

C6H13N5S — CID 63958072

IUPACN-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCSC
InChIInChI=1S/C6H13N5S/c1-7-5-6-8-9-10-11(6)3-4-12-2/h7H,3-5H2,1-2H3
InChIKeyQKKSEGLUCSBVPA-UHFFFAOYSA-N
MW187.27 g/mol
LogP-0.24
Rot. Bonds5

About N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine

N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine (PubChem CID 63958072) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine
PubChem CID63958072
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC NameN-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine
SMILESCNCc1nnnn1CCSC
InChIInChI=1S/C6H13N5S/c1-7-5-6-8-9-10-11(6)3-4-12-2/h7H,3-5H2,1-2H3
InChIKeyQKKSEGLUCSBVPA-UHFFFAOYSA-N
XLogP-0.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine (CID 63958072) is N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine is CNCc1nnnn1CCSC.
What is the InChIKey of N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine?
The InChIKey is QKKSEGLUCSBVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-7-5-6-8-9-10-11(6)3-4-12-2/h7H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine?
N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine has a molecular weight of 187.27 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylsulfanylethyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 63958072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).