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

C8H13N9S — CID 1263556

IUPAC2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nnnn2C)n1
InChIInChI=1S/C8H13N9S/c1-16(2)7-11-5(10-6(9)12-7)4-18-8-13-14-15-17(8)3/h4H2,1-3H3,(H2,9,10,11,12)
InChIKeyCPYKQGBCJZBGDB-UHFFFAOYSA-N
MW267.32 g/mol
LogP-0.66
Rot. Bonds4

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

2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 1263556) has the molecular formula C8H13N9S and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
PubChem CID1263556
Molecular FormulaC8H13N9S
Molecular Weight267.32 g/mol
Exact Mass267.10
IUPAC Name2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(CSc2nnnn2C)n1
InChIInChI=1S/C8H13N9S/c1-16(2)7-11-5(10-6(9)12-7)4-18-8-13-14-15-17(8)3/h4H2,1-3H3,(H2,9,10,11,12)
InChIKeyCPYKQGBCJZBGDB-UHFFFAOYSA-N
XLogP-0.66
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine (CID 1263556) is 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(CSc2nnnn2C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is CPYKQGBCJZBGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N9S/c1-16(2)7-11-5(10-6(9)12-7)4-18-8-13-14-15-17(8)3/h4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 267.32 g/mol, XLogP of -0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1263556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).