6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C15H21N5 — CID 82557406

IUPAC6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1C(c2ccc(N(C)C)cc2)CCc2nc(N)nn21
InChIInChI=1S/C15H21N5/c1-10-13(8-9-14-17-15(16)18-20(10)14)11-4-6-12(7-5-11)19(2)3/h4-7,10,13H,8-9H2,1-3H3,(H2,16,18)
InChIKeyCRWAJRKHSLUJNJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.22
Rot. Bonds2

About 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557406) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557406
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC1C(c2ccc(N(C)C)cc2)CCc2nc(N)nn21
InChIInChI=1S/C15H21N5/c1-10-13(8-9-14-17-15(16)18-20(10)14)11-4-6-12(7-5-11)19(2)3/h4-7,10,13H,8-9H2,1-3H3,(H2,16,18)
InChIKeyCRWAJRKHSLUJNJ-UHFFFAOYSA-N
XLogP2.22
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557406) is 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC1C(c2ccc(N(C)C)cc2)CCc2nc(N)nn21.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is CRWAJRKHSLUJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-10-13(8-9-14-17-15(16)18-20(10)14)11-4-6-12(7-5-11)19(2)3/h4-7,10,13H,8-9H2,1-3H3,(H2,16,18).
What are the key properties of 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 271.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).