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

C11H18N8S — CID 133434211

IUPAC4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(C(C)C)nc(N(C)C)n2)n1N
InChIInChI=1S/C11H18N8S/c1-6(2)8-13-9(18(4)5)15-10(14-8)20-11-17-16-7(3)19(11)12/h6H,12H2,1-5H3
InChIKeyGIMFXARADJZNGE-UHFFFAOYSA-N
MW294.39 g/mol
LogP0.83
Rot. Bonds4

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

4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133434211) has the molecular formula C11H18N8S and a molecular weight of 294.39 g/mol. Its IUPAC name is 4-[(4-amino-5-methyl-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-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133434211
Molecular FormulaC11H18N8S
Molecular Weight294.39 g/mol
Exact Mass294.14
IUPAC Name4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCc1nnc(Sc2nc(C(C)C)nc(N(C)C)n2)n1N
InChIInChI=1S/C11H18N8S/c1-6(2)8-13-9(18(4)5)15-10(14-8)20-11-17-16-7(3)19(11)12/h6H,12H2,1-5H3
InChIKeyGIMFXARADJZNGE-UHFFFAOYSA-N
XLogP0.83
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

6-[1-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 46658247
4-[[4-amino-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
CID 133420645
3-[(4-Amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-5-propan-2-yl-1,2,4-triazol-4-amine
CID 168869273
3-Methylsulfanyl-5-(1-piperidin-1-ylpropan-2-yl)-1,2,4-triazol-4-amine
CID 10106421
6-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 25463535
6-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 29617441
2-N,2-N-dimethyl-6-[(1S)-1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 35500428
2-N,2-N-dimethyl-6-[(1R)-1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 35500429
2-N,2-N-dimethyl-6-[1-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 42948983
2-N,2-N-diethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80885418
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80888160
6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80889196

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-methyl-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-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133434211) is 4-[(4-amino-5-methyl-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-methyl-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-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is Cc1nnc(Sc2nc(C(C)C)nc(N(C)C)n2)n1N.
What is the InChIKey of 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is GIMFXARADJZNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N8S/c1-6(2)8-13-9(18(4)5)15-10(14-8)20-11-17-16-7(3)19(11)12/h6H,12H2,1-5H3.
What are the key properties of 4-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(4-amino-5-methyl-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 294.39 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-5-methyl-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 133434211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).