7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C14H18N4 — CID 82557056

IUPAC7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(C2CCn3nc(N)nc3C2)cc1C
InChIInChI=1S/C14H18N4/c1-9-3-4-11(7-10(9)2)12-5-6-18-13(8-12)16-14(15)17-18/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyYZCNLTREWGMSHN-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.21
Rot. Bonds1

About 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 82557056) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID82557056
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ccc(C2CCn3nc(N)nc3C2)cc1C
InChIInChI=1S/C14H18N4/c1-9-3-4-11(7-10(9)2)12-5-6-18-13(8-12)16-14(15)17-18/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,17)
InChIKeyYZCNLTREWGMSHN-UHFFFAOYSA-N
XLogP2.21
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 82557056) is 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ccc(C2CCn3nc(N)nc3C2)cc1C.
What is the InChIKey of 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is YZCNLTREWGMSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-9-3-4-11(7-10(9)2)12-5-6-18-13(8-12)16-14(15)17-18/h3-4,7,12H,5-6,8H2,1-2H3,(H2,15,17).
What are the key properties of 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dimethylphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 82557056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).