[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine

C9H12N6S — CID 63882476

IUPAC[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCn1nnnc1SCc1ccnc(CN)c1
InChIInChI=1S/C9H12N6S/c1-15-9(12-13-14-15)16-6-7-2-3-11-8(4-7)5-10/h2-4H,5-6,10H2,1H3
InChIKeyCIAQCSZIOZXIIE-UHFFFAOYSA-N
MW236.30 g/mol
LogP0.36
Rot. Bonds4

About [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine

[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine (PubChem CID 63882476) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
PubChem CID63882476
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine
SMILESCn1nnnc1SCc1ccnc(CN)c1
InChIInChI=1S/C9H12N6S/c1-15-9(12-13-14-15)16-6-7-2-3-11-8(4-7)5-10/h2-4H,5-6,10H2,1H3
InChIKeyCIAQCSZIOZXIIE-UHFFFAOYSA-N
XLogP0.36
TPSA82.51 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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63882087
2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-N-propylpyridin-4-amine
CID 79259420
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-methyltetrazole
CID 8594550
[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63881700
2-fluoro-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzonitrile
CID 103758794
2-chloro-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoic acid
CID 23502600
methyl 3-[(1-methyltetrazol-5-yl)sulfanylmethyl]benzoate
CID 8564349
[3-[2-(1-methyltetrazol-5-yl)sulfanylethoxy]phenyl]methanamine
CID 43530184
[4-[3-(1-methyltetrazol-5-yl)sulfanylpropoxy]phenyl]methanamine
CID 43530185
4-chloro-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]aniline
CID 43350210
2-[3-(1-methyltetrazol-5-yl)sulfanylpropylsulfanylmethyl]pyridine
CID 13061964
1-methyl-5-[(1-methyltetrazol-5-yl)sulfanylmethylsulfanyl]tetrazole
CID 1281683

Frequently Asked Questions

What is the IUPAC name of [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine (CID 63882476) is [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine is Cn1nnnc1SCc1ccnc(CN)c1.
What is the InChIKey of [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
The InChIKey is CIAQCSZIOZXIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-15-9(12-13-14-15)16-6-7-2-3-11-8(4-7)5-10/h2-4H,5-6,10H2,1H3.
What are the key properties of [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine?
[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine has a molecular weight of 236.30 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 63882476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).