N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

C9H12N6S — CID 79239132

IUPACN-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1cccc(CSc2nnnn2C)n1
InChIInChI=1S/C9H12N6S/c1-10-8-5-3-4-7(11-8)6-16-9-12-13-14-15(9)2/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyJYIJUPDEEIYRBF-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.94
Rot. Bonds4

About N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 79239132) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID79239132
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC NameN-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESCNc1cccc(CSc2nnnn2C)n1
InChIInChI=1S/C9H12N6S/c1-10-8-5-3-4-7(11-8)6-16-9-12-13-14-15(9)2/h3-5H,6H2,1-2H3,(H,10,11)
InChIKeyJYIJUPDEEIYRBF-UHFFFAOYSA-N
XLogP0.94
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 79239053
2-chloro-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridine
CID 79037574
4-methyl-3-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]-1H-1,2,4-triazol-5-one
CID 79239238
6-[(4-chlorophenyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79239984
2-[[6-(methylamino)-2-pyridinyl]methylsulfanyl]pyrimidine-4,6-diamine
CID 79239232
4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-phenyl-1,3-thiazol-2-amine
CID 2345699
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232663
ethyl N-[6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]-2-pyridinyl]carbamate
CID 135230223
6-[(5-chloro-2-pyridinyl)sulfanylmethyl]-N-methylpyridin-2-amine
CID 79238731
6-[(1-methyltetrazol-5-yl)sulfanylmethyl]phenanthridine
CID 23965795
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683
N-methyl-6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-amine
CID 59582521

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (CID 79239132) is N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is CNc1cccc(CSc2nnnn2C)n1.
What is the InChIKey of N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is JYIJUPDEEIYRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-10-8-5-3-4-7(11-8)6-16-9-12-13-14-15(9)2/h3-5H,6H2,1-2H3,(H,10,11).
What are the key properties of N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 236.30 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 79239132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).