6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C9H13N9S — CID 80893511

IUPAC6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C9H13N9S/c1-17(2)7-11-6(10)12-8(13-7)19-9-14-15-16-18(9)5-3-4-5/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyJFHMILPUSQFRGJ-UHFFFAOYSA-N
MW279.33 g/mol
LogP-0.01
Rot. Bonds4

About 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80893511) has the molecular formula C9H13N9S and a molecular weight of 279.33 g/mol. Its IUPAC name is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80893511
Molecular FormulaC9H13N9S
Molecular Weight279.33 g/mol
Exact Mass279.10
IUPAC Name6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Sc2nnnn2C2CC2)n1
InChIInChI=1S/C9H13N9S/c1-17(2)7-11-6(10)12-8(13-7)19-9-14-15-16-18(9)5-3-4-5/h5H,3-4H2,1-2H3,(H2,10,11,12,13)
InChIKeyJFHMILPUSQFRGJ-UHFFFAOYSA-N
XLogP-0.01
TPSA111.53 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidine-2,4-diamine
CID 80882968
2-(1-cyclopropyltetrazol-5-yl)sulfanylpyrimidin-5-amine
CID 61146777
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-N-methylpyrimidine-2,4-diamine
CID 80893103
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720149
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-5-methylpyrimidin-4-amine
CID 80893018
4-amino-3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N,N-dimethylbenzamide
CID 63358609
2-(1-cyclopentyltetrazol-5-yl)sulfanyl-6-methylpyrimidine-4-carbonitrile
CID 107551334
6-(1-cyclopentyltetrazol-5-yl)sulfanylpyrimidin-4-amine
CID 80882455
4-chloro-6-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
CID 80869196
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-ethoxypyridin-3-amine
CID 43262768
5-chloro-6-[(1-cyclopropyltetrazol-5-yl)sulfanylmethyl]pyridin-2-amine
CID 62886003
4-(1-cyclopentyltetrazol-5-yl)sulfanyl-5-fluoropyrimidin-2-amine
CID 80883686

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80893511) is 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Sc2nnnn2C2CC2)n1.
What is the InChIKey of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JFHMILPUSQFRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N9S/c1-17(2)7-11-6(10)12-8(13-7)19-9-14-15-16-18(9)5-3-4-5/h5H,3-4H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.33 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropyltetrazol-5-yl)sulfanyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80893511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).