7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

C13H14N6 — CID 77079663

IUPAC7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCN(C)c1cccc(-c2cc3nncn3c(N)n2)c1
InChIInChI=1S/C13H14N6/c1-18(2)10-5-3-4-9(6-10)11-7-12-17-15-8-19(12)13(14)16-11/h3-8H,1-2H3,(H2,14,16)
InChIKeyHHAFSQOUMCJANX-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.44
Rot. Bonds2

About 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (PubChem CID 77079663) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
PubChem CID77079663
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
SMILESCN(C)c1cccc(-c2cc3nncn3c(N)n2)c1
InChIInChI=1S/C13H14N6/c1-18(2)10-5-3-4-9(6-10)11-7-12-17-15-8-19(12)13(14)16-11/h3-8H,1-2H3,(H2,14,16)
InChIKeyHHAFSQOUMCJANX-UHFFFAOYSA-N
XLogP1.44
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-[4-[1-(dimethylamino)ethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 77097041
7-[3-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 99926894
7-(2,2-difluoro-1,3-benzodioxol-5-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 122564540
7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556382
2-[3-(dimethylamino)phenyl]pyridin-4-amine
CID 130234930
3-(7-chloro-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)-N,N-dimethylaniline
CID 43329194
3-[3-[3-[5-[3-(dimethylamino)phenyl]-1H-pyrazol-3-yl]phenyl]-1H-pyrazol-5-yl]-N,N-dimethylaniline
CID 118529608
4-[3-(dimethylamino)phenyl]pyridin-2-amine
CID 82556008
5-[3-(dimethylamino)phenyl]-1,2,4-oxadiazol-3-amine;hydrochloride
CID 76848385
4-(3-aminophenyl)-N,N-dimethyl-1,3-thiazol-2-amine
CID 46398312
3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline
CID 121499473
4-[3-(dimethylamino)phenyl]-1,2-oxazol-5-amine
CID 117291729

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The IUPAC name of 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine (CID 77079663) is 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine.
What is the SMILES notation for 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The canonical SMILES for 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is CN(C)c1cccc(-c2cc3nncn3c(N)n2)c1.
What is the InChIKey of 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
The InChIKey is HHAFSQOUMCJANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-18(2)10-5-3-4-9(6-10)11-7-12-17-15-8-19(12)13(14)16-11/h3-8H,1-2H3,(H2,14,16).
What are the key properties of 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine?
7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine has a molecular weight of 254.30 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine is sourced from PubChem (CID 77079663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).