[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine

C10H12N6S — CID 43528935

IUPAC[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
SMILESNCc1cccnc1Sc1nnnn1C1CC1
InChIInChI=1S/C10H12N6S/c11-6-7-2-1-5-12-9(7)17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6,11H2
InChIKeySQQAGNJVDVEUDA-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.01
Rot. Bonds4

About [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine

[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 43528935) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
PubChem CID43528935
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
SMILESNCc1cccnc1Sc1nnnn1C1CC1
InChIInChI=1S/C10H12N6S/c11-6-7-2-1-5-12-9(7)17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6,11H2
InChIKeySQQAGNJVDVEUDA-UHFFFAOYSA-N
XLogP1.01
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine (CID 43528935) is [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine is NCc1cccnc1Sc1nnnn1C1CC1.
What is the InChIKey of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is SQQAGNJVDVEUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c11-6-7-2-1-5-12-9(7)17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6,11H2.
What are the key properties of [2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine?
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 248.31 g/mol, XLogP of 1.01, 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-3-pyridinyl]methanamine is sourced from PubChem (CID 43528935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).