6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C8H13N9S — CID 41477279

IUPAC6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2n[nH]c(N)n2)n1
InChIInChI=1S/C8H13N9S/c1-17(2)7-12-4(11-5(9)13-7)3-18-8-14-6(10)15-16-8/h3H2,1-2H3,(H2,9,11,12,13)(H3,10,14,15,16)
InChIKeyJBFCZTRQPQFHPK-UHFFFAOYSA-N
MW267.32 g/mol
LogP-0.49
Rot. Bonds4

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

6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 41477279) has the molecular formula C8H13N9S and a molecular weight of 267.32 g/mol. Its IUPAC name is 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID41477279
Molecular FormulaC8H13N9S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2n[nH]c(N)n2)n1
InChIInChI=1S/C8H13N9S/c1-17(2)7-12-4(11-5(9)13-7)3-18-8-14-6(10)15-16-8/h3H2,1-2H3,(H2,9,11,12,13)(H3,10,14,15,16)
InChIKeyJBFCZTRQPQFHPK-UHFFFAOYSA-N
XLogP-0.49
TPSA135.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

6-[[5-(2-cyclopentylethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 16604662
6-[8-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]octylsulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 42584388
2-N,2-N-dimethyl-6-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 46670988
6-(azetidin-3-ylmethylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66290922
6-[(3-amino-4-pyridinyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 43299776
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]propan-1-ol
CID 66114761
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 47449133
6-(2-aminobutylsulfanylmethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 66227987
6-[[5-(aminomethyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 63314122
3-(ethylsulfanylmethylsulfanyl)-1H-1,2,4-triazol-5-amine
CID 131219759
3-[(5-methylfuran-2-yl)methylsulfanyl]-1H-1,2,4-triazol-5-amine
CID 43251183
2-N,2-N-dimethyl-6-[[5-(2-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17496145

Frequently Asked Questions

What is the IUPAC name of 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 41477279) is 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2n[nH]c(N)n2)n1.
What is the InChIKey of 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JBFCZTRQPQFHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N9S/c1-17(2)7-12-4(11-5(9)13-7)3-18-8-14-6(10)15-16-8/h3H2,1-2H3,(H2,9,11,12,13)(H3,10,14,15,16).
What are the key properties of 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 267.32 g/mol, XLogP of -0.49, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 41477279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).