N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine

C7H10N6 — CID 7688192

IUPACN,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCN(C)c1ncnc2c1nnn2C
InChIInChI=1S/C7H10N6/c1-12(2)6-5-7(9-4-8-6)13(3)11-10-5/h4H,1-3H3
InChIKeyBNJLNFUULXTSPT-UHFFFAOYSA-N
MW178.20 g/mol
LogP-0.18
Rot. Bonds1

About N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine

N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine (PubChem CID 7688192) has the molecular formula C7H10N6 and a molecular weight of 178.20 g/mol. Its IUPAC name is N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine
PubChem CID7688192
Molecular FormulaC7H10N6
Molecular Weight178.20 g/mol
Exact Mass178.10
IUPAC NameN,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine
SMILESCN(C)c1ncnc2c1nnn2C
InChIInChI=1S/C7H10N6/c1-12(2)6-5-7(9-4-8-6)13(3)11-10-5/h4H,1-3H3
InChIKeyBNJLNFUULXTSPT-UHFFFAOYSA-N
XLogP-0.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-N,N-di(propan-2-yl)triazolo[4,5-d]pyrimidin-7-amine
CID 7688194
N,3-dimethyl-N-phenyltriazolo[4,5-d]pyrimidin-7-amine
CID 40532077
N,N-dibenzyl-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7424077
3-[(2-chlorophenyl)methyl]-N,N-dimethyltriazolo[4,5-d]pyrimidin-7-amine
CID 19767721
3-methyl-7-(4-methylpiperazin-1-yl)triazolo[4,5-d]pyrimidine
CID 7424099
N-(2-chlorophenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7688242
3-methyl-7-propylsulfanyltriazolo[4,5-d]pyrimidine
CID 43955287
3-methyl-N-(2,4,6-trimethylphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 7584273
1-N-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)propane-1,2-diamine
CID 83833760
4-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)piperazine-1-carbaldehyde
CID 7424110
N-(2-ethoxyphenyl)-3-methyltriazolo[4,5-d]pyrimidin-7-amine
CID 7659050
3-ethyl-N,N-dipropyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584299

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine (CID 7688192) is N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine is CN(C)c1ncnc2c1nnn2C.
What is the InChIKey of N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is BNJLNFUULXTSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6/c1-12(2)6-5-7(9-4-8-6)13(3)11-10-5/h4H,1-3H3.
What are the key properties of N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine?
N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 178.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyltriazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 7688192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).