[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine

C11H14N6S — CID 114769862

IUPAC[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C11H14N6S/c1-7-4-8(6-12)5-10(13-7)18-11-14-15-16-17(11)9-2-3-9/h4-5,9H,2-3,6,12H2,1H3
InChIKeyHDHJYMDPOINGIA-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.32
Rot. Bonds4

About [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine

[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine (PubChem CID 114769862) has the molecular formula C11H14N6S and a molecular weight of 262.34 g/mol. Its IUPAC name is [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
PubChem CID114769862
Molecular FormulaC11H14N6S
Molecular Weight262.34 g/mol
Exact Mass262.10
IUPAC Name[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine
SMILESCc1cc(CN)cc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C11H14N6S/c1-7-4-8(6-12)5-10(13-7)18-11-14-15-16-17(11)9-2-3-9/h4-5,9H,2-3,6,12H2,1H3
InChIKeyHDHJYMDPOINGIA-UHFFFAOYSA-N
XLogP1.32
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-methyl-6-(1-methyltetrazol-5-yl)sulfanyl-4-pyridinyl]methanamine
CID 114769847
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methylpyridine-4-carbonitrile
CID 114769426
4-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-N-propylpyrimidin-2-amine
CID 80893017
[4-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528934
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
4-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-propylpyrimidine
CID 80945247
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
2-[6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methyl-3-pyridinyl]ethanamine
CID 80651706
2-chloro-6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridine
CID 102716303
[2-(1-cyclopropyltetrazol-5-yl)sulfanylphenyl]methanamine
CID 43528939
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768

Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine (CID 114769862) is [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine.
What is the SMILES notation for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The canonical SMILES for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine is Cc1cc(CN)cc(Sc2nnnn2C2CC2)n1.
What is the InChIKey of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
The InChIKey is HDHJYMDPOINGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6S/c1-7-4-8(6-12)5-10(13-7)18-11-14-15-16-17(11)9-2-3-9/h4-5,9H,2-3,6,12H2,1H3.
What are the key properties of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine?
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine has a molecular weight of 262.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-6-methyl-4-pyridinyl]methanamine is sourced from PubChem (CID 114769862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).