[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

C8H13N7OS — CID 102630553

IUPAC[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCCn1nnnc1CSc1nnc(CN)o1
InChIInChI=1S/C8H13N7OS/c1-2-3-15-6(10-13-14-15)5-17-8-12-11-7(4-9)16-8/h2-5,9H2,1H3
InChIKeyHKHCAVRQYJDMHM-UHFFFAOYSA-N
MW255.31 g/mol
LogP0.22
Rot. Bonds6

About [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 102630553) has the molecular formula C8H13N7OS and a molecular weight of 255.31 g/mol. Its IUPAC name is [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID102630553
Molecular FormulaC8H13N7OS
Molecular Weight255.31 g/mol
Exact Mass255.09
IUPAC Name[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCCn1nnnc1CSc1nnc(CN)o1
InChIInChI=1S/C8H13N7OS/c1-2-3-15-6(10-13-14-15)5-17-8-12-11-7(4-9)16-8/h2-5,9H2,1H3
InChIKeyHKHCAVRQYJDMHM-UHFFFAOYSA-N
XLogP0.22
TPSA108.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(1-propyltetrazol-5-yl)methanamine
CID 62736890
4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 43299209
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9199499
[5-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630416
4-[(1-propyltetrazol-5-yl)methylsulfanyl]phenol
CID 60864055
[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629829
[5-(2-methylidenebutylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630539
[5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102630041
3-methoxy-4-[(1-propyltetrazol-5-yl)methylsulfanyl]aniline
CID 79822172
[5-(2-methylprop-2-enylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630364
[5-(2-methoxyethylsulfanyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 102630421
2-(5-propylsulfanyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 9170702

Frequently Asked Questions

What is the IUPAC name of [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine (CID 102630553) is [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is CCCn1nnnc1CSc1nnc(CN)o1.
What is the InChIKey of [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is HKHCAVRQYJDMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7OS/c1-2-3-15-6(10-13-14-15)5-17-8-12-11-7(4-9)16-8/h2-5,9H2,1H3.
What are the key properties of [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 255.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 102630553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).