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

C14H24N8S — CID 133420656

IUPAC4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Sc2nnc(C(C)(C)C)n2N)nc(N(C)C)n1
InChIInChI=1S/C14H24N8S/c1-8(2)9-16-11(21(6)7)18-12(17-9)23-13-20-19-10(22(13)15)14(3,4)5/h8H,15H2,1-7H3
InChIKeyREYRFTLWRVUFNK-UHFFFAOYSA-N
MW336.47 g/mol
LogP1.82
Rot. Bonds4

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

4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 133420656) has the molecular formula C14H24N8S and a molecular weight of 336.47 g/mol. Its IUPAC name is 4-[(4-amino-5-tert-butyl-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-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID133420656
Molecular FormulaC14H24N8S
Molecular Weight336.47 g/mol
Exact Mass336.18
IUPAC Name4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(Sc2nnc(C(C)(C)C)n2N)nc(N(C)C)n1
InChIInChI=1S/C14H24N8S/c1-8(2)9-16-11(21(6)7)18-12(17-9)23-13-20-19-10(22(13)15)14(3,4)5/h8H,15H2,1-7H3
InChIKeyREYRFTLWRVUFNK-UHFFFAOYSA-N
XLogP1.82
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.47
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

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-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80891718
2-N,2-N-dimethyl-6-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80892102
4-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80929986
2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 91661023
2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2R)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 99626882
2-N,4-N,4-N-trimethyl-6-propan-2-yl-2-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 99626883
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

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-5-tert-butyl-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-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine (CID 133420656) is 4-[(4-amino-5-tert-butyl-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-tert-butyl-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-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(Sc2nnc(C(C)(C)C)n2N)nc(N(C)C)n1.
What is the InChIKey of 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is REYRFTLWRVUFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N8S/c1-8(2)9-16-11(21(6)7)18-12(17-9)23-13-20-19-10(22(13)15)14(3,4)5/h8H,15H2,1-7H3.
What are the key properties of 4-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-dimethyl-6-propan-2-yl-1,3,5-triazin-2-amine?
4-[(4-amino-5-tert-butyl-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 336.47 g/mol, XLogP of 1.82, 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-tert-butyl-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 133420656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).