3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

C10H12N6S — CID 62468379

IUPAC3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ncccc1CSc1nnnn1C1CC1
InChIInChI=1S/C10H12N6S/c11-9-7(2-1-5-12-9)6-17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,11,12)
InChIKeyLEWGSZYQNYQMSB-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.28
Rot. Bonds4

About 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine

3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (PubChem CID 62468379) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
PubChem CID62468379
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
SMILESNc1ncccc1CSc1nnnn1C1CC1
InChIInChI=1S/C10H12N6S/c11-9-7(2-1-5-12-9)6-17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,11,12)
InChIKeyLEWGSZYQNYQMSB-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509451
[2-(1-cyclopropyltetrazol-5-yl)sulfanyl-3-pyridinyl]methanamine
CID 43528935
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-methylaniline
CID 43509449
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-4-fluoroaniline
CID 43382263
5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1-cyclopropyltetrazole
CID 47124353
2-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]quinazolin-4-amine
CID 27935969
1-cyclopropyl-5-[(4-phenylphenyl)methylsulfanyl]tetrazole
CID 9450968
[4-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 62464170
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
3-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-4-methoxyaniline
CID 43247240
[4-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]phenyl]methanamine
CID 43530530
1-cyclopropyl-5-[(3,4-dichlorophenyl)methylsulfanyl]tetrazole
CID 47124307

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine (CID 62468379) is 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is Nc1ncccc1CSc1nnnn1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is LEWGSZYQNYQMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c11-9-7(2-1-5-12-9)6-17-10-13-14-15-16(10)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,11,12).
What are the key properties of 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine?
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 248.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 62468379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).