2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine

C11H16N6S — CID 79259420

IUPAC2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CSc2nnnn2C)c1
InChIInChI=1S/C11H16N6S/c1-3-5-12-9-4-6-13-10(7-9)8-18-11-14-15-16-17(11)2/h4,6-7H,3,5,8H2,1-2H3,(H,12,13)
InChIKeyJXTASXDLHFACEL-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.72
Rot. Bonds6

About 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine

2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine (PubChem CID 79259420) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine.

Molecular Properties

Compound Name2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine
PubChem CID79259420
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine
SMILESCCCNc1ccnc(CSc2nnnn2C)c1
InChIInChI=1S/C11H16N6S/c1-3-5-12-9-4-6-13-10(7-9)8-18-11-14-15-16-17(11)2/h4,6-7H,3,5,8H2,1-2H3,(H,12,13)
InChIKeyJXTASXDLHFACEL-UHFFFAOYSA-N
XLogP1.72
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.72
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-(tert-butylsulfanylmethyl)-N-propylpyridin-4-amine
CID 79259514
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882476
3-[[4-(propylamino)-2-pyridinyl]methylsulfanyl]propan-1-ol
CID 79260360
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
N-[1-(3,4-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64620598
2-[(4-tert-butylpiperazin-1-yl)methyl]-N-propylpyridin-4-amine
CID 79245524
2-methyl-N-propylpyridin-4-amine
CID 79240818
N-[1-(2,5-dimethylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylethyl]propan-1-amine
CID 64621766
4-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80887590
2-[cyanomethyl-[[4-(propylamino)-2-pyridinyl]methyl]amino]acetonitrile
CID 79245643
N-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 79239132

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
The IUPAC name of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine (CID 79259420) is 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine.
What is the SMILES notation for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
The canonical SMILES for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine is CCCNc1ccnc(CSc2nnnn2C)c1.
What is the InChIKey of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
The InChIKey is JXTASXDLHFACEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-3-5-12-9-4-6-13-10(7-9)8-18-11-14-15-16-17(11)2/h4,6-7H,3,5,8H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine?
2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine has a molecular weight of 264.36 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine is sourced from PubChem (CID 79259420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).