6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

C10H15N9OS — CID 24523086

IUPAC6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2nnnn2CC2CCCO2)n1
InChIInChI=1S/C10H15N9OS/c11-8-13-7(14-9(12)15-8)5-21-10-16-17-18-19(10)4-6-2-1-3-20-6/h6H,1-5H2,(H4,11,12,13,14,15)
InChIKeyLPEDVYXAORLECM-UHFFFAOYSA-N
MW309.36 g/mol
LogP-0.51
Rot. Bonds5

About 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 24523086) has the molecular formula C10H15N9OS and a molecular weight of 309.36 g/mol. Its IUPAC name is 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID24523086
Molecular FormulaC10H15N9OS
Molecular Weight309.36 g/mol
Exact Mass309.11
IUPAC Name6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CSc2nnnn2CC2CCCO2)n1
InChIInChI=1S/C10H15N9OS/c11-8-13-7(14-9(12)15-8)5-21-10-16-17-18-19(10)4-6-2-1-3-20-6/h6H,1-5H2,(H4,11,12,13,14,15)
InChIKeyLPEDVYXAORLECM-UHFFFAOYSA-N
XLogP-0.51
TPSA143.54 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.36
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

6-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 40968178
2-N-(4-methylphenyl)-6-[[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41061345
2-N-(2-methoxyphenyl)-6-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 41024203
5-chloro-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]pyridine
CID 75498623
2-cyclopropyl-4-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 75433529
5-(3-chloroprop-2-enylsulfanyl)-1-(oxolan-2-ylmethyl)tetrazole
CID 72691656
5-cyclopentylsulfanyl-1-[[(2R)-oxolan-2-yl]methyl]tetrazole
CID 95691699
5-chloro-1-methyl-2-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]benzimidazole
CID 47045903
1-(azepan-1-yl)-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethanone
CID 127667265
5-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 74627392
2-methyl-4-[2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylethyl]-1,3-thiazole
CID 75437933
(2S)-2-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-4-propan-2-ylmorpholine
CID 124741283

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 24523086) is 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CSc2nnnn2CC2CCCO2)n1.
What is the InChIKey of 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is LPEDVYXAORLECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N9OS/c11-8-13-7(14-9(12)15-8)5-21-10-16-17-18-19(10)4-6-2-1-3-20-6/h6H,1-5H2,(H4,11,12,13,14,15).
What are the key properties of 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 309.36 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 24523086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).