6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C16H26N8S — CID 42889441

IUPAC6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(Sc1n[nH]c(CCC2CCCC2)n1)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H26N8S/c1-10(13-19-14(17)21-15(20-13)24(2)3)25-16-18-12(22-23-16)9-8-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,18,22,23)(H2,17,19,20,21)
InChIKeyMWXBCTAYAMTJHT-UHFFFAOYSA-N
MW362.51 g/mol
LogP2.61
Rot. Bonds7

About 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 42889441) has the molecular formula C16H26N8S and a molecular weight of 362.51 g/mol. Its IUPAC name is 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID42889441
Molecular FormulaC16H26N8S
Molecular Weight362.51 g/mol
Exact Mass362.20
IUPAC Name6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCC(Sc1n[nH]c(CCC2CCCC2)n1)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H26N8S/c1-10(13-19-14(17)21-15(20-13)24(2)3)25-16-18-12(22-23-16)9-8-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,18,22,23)(H2,17,19,20,21)
InChIKeyMWXBCTAYAMTJHT-UHFFFAOYSA-N
XLogP2.61
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 42889441) is 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CC(Sc1n[nH]c(CCC2CCCC2)n1)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MWXBCTAYAMTJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8S/c1-10(13-19-14(17)21-15(20-13)24(2)3)25-16-18-12(22-23-16)9-8-11-6-4-5-7-11/h10-11H,4-9H2,1-3H3,(H,18,22,23)(H2,17,19,20,21).
What are the key properties of 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 362.51 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 42889441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).