N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine

C11H15N7S — CID 89493230

IUPACN,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine
SMILESC[C@H]1N=NCCn2c(-c3csc(N(C)C)n3)nnc21
InChIInChI=1S/C11H15N7S/c1-7-9-15-16-10(18(9)5-4-12-14-7)8-6-19-11(13-8)17(2)3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyIERZFVCQINIQFL-SSDOTTSWSA-N
MW277.36 g/mol
LogP1.99
Rot. Bonds2

About N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine (PubChem CID 89493230) has the molecular formula C11H15N7S and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine
PubChem CID89493230
Molecular FormulaC11H15N7S
Molecular Weight277.36 g/mol
Exact Mass277.11
IUPAC NameN,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine
SMILESC[C@H]1N=NCCn2c(-c3csc(N(C)C)n3)nnc21
InChIInChI=1S/C11H15N7S/c1-7-9-15-16-10(18(9)5-4-12-14-7)8-6-19-11(13-8)17(2)3/h6-7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyIERZFVCQINIQFL-SSDOTTSWSA-N
XLogP1.99
TPSA71.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine (CID 89493230) is N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine is C[C@H]1N=NCCn2c(-c3csc(N(C)C)n3)nnc21.
What is the InChIKey of N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine?
The InChIKey is IERZFVCQINIQFL-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N7S/c1-7-9-15-16-10(18(9)5-4-12-14-7)8-6-19-11(13-8)17(2)3/h6-7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine has a molecular weight of 277.36 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(9R)-9-methyl-6,9-dihydro-5H-[1,2,4]triazolo[3,4-d][1,2,5]triazepin-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 89493230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).