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

C10H12N6S — CID 43301839

IUPAC5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nnnn2C2CC2)cn1
InChIInChI=1S/C10H12N6S/c11-9-4-3-8(5-12-9)17-6-10-13-14-15-16(10)7-1-2-7/h3-5,7H,1-2,6H2,(H2,11,12)
InChIKeyKEYJCFFVAZUPEK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.28
Rot. Bonds4

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

5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine (PubChem CID 43301839) has the molecular formula C10H12N6S and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
PubChem CID43301839
Molecular FormulaC10H12N6S
Molecular Weight248.31 g/mol
Exact Mass248.08
IUPAC Name5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine
SMILESNc1ccc(SCc2nnnn2C2CC2)cn1
InChIInChI=1S/C10H12N6S/c11-9-4-3-8(5-12-9)17-6-10-13-14-15-16(10)7-1-2-7/h3-5,7H,1-2,6H2,(H2,11,12)
InChIKeyKEYJCFFVAZUPEK-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

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-6-methylpyrimidin-4-amine
CID 47153947
[2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
CID 66149841
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
5-[(1-ethylimidazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 62735685
2-[(6-amino-3-pyridinyl)sulfanyl]acetamide
CID 43302194
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline
CID 51112951
2-[1-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]ethyl]pyrazine
CID 154736628
3-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 71993083
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
3-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62468379
3-(1-cyclopropyltetrazol-5-yl)propan-1-amine
CID 82228426
5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]pyridin-2-amine
CID 43302148

Frequently Asked Questions

What is the IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine (CID 43301839) is 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine is Nc1ccc(SCc2nnnn2C2CC2)cn1.
What is the InChIKey of 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine?
The InChIKey is KEYJCFFVAZUPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6S/c11-9-4-3-8(5-12-9)17-6-10-13-14-15-16(10)7-1-2-7/h3-5,7H,1-2,6H2,(H2,11,12).
What are the key properties of 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine?
5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]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 5-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]pyridin-2-amine is sourced from PubChem (CID 43301839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).