4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

C12H20N8S — CID 133420648

IUPAC4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCc1nnc(Sc2nc(C(C)C)nc(N(C)C)n2)n1N
InChIInChI=1S/C12H20N8S/c1-6-8-17-18-12(20(8)13)21-11-15-9(7(2)3)14-10(16-11)19(4)5/h7H,6,13H2,1-5H3
InChIKeyZTPZWEBVTPRKSZ-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.08
Rot. Bonds5

About 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine

4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133420648) has the molecular formula C12H20N8S and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133420648
Molecular FormulaC12H20N8S
Molecular Weight308.42 g/mol
Exact Mass308.15
IUPAC Name4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCc1nnc(Sc2nc(C(C)C)nc(N(C)C)n2)n1N
InChIInChI=1S/C12H20N8S/c1-6-8-17-18-12(20(8)13)21-11-15-9(7(2)3)14-10(16-11)19(4)5/h7H,6,13H2,1-5H3
InChIKeyZTPZWEBVTPRKSZ-UHFFFAOYSA-N
XLogP1.08
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133420648) is 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CCc1nnc(Sc2nc(C(C)C)nc(N(C)C)n2)n1N.
What is the InChIKey of 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is ZTPZWEBVTPRKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N8S/c1-6-8-17-18-12(20(8)13)21-11-15-9(7(2)3)14-10(16-11)19(4)5/h7H,6,13H2,1-5H3.
What are the key properties of 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 308.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 133420648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).