5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

C12H15N5 — CID 112596966

IUPAC5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CNc3ccccc32)n1C
InChIInChI=1S/C12H15N5/c1-13-12-16-15-11(17(12)2)9-7-14-10-6-4-3-5-8(9)10/h3-6,9,14H,7H2,1-2H3,(H,13,16)
InChIKeyXTWZXHGHXSTVRI-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.41
Rot. Bonds2

About 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine

5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (PubChem CID 112596966) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
PubChem CID112596966
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine
SMILESCNc1nnc(C2CNc3ccccc32)n1C
InChIInChI=1S/C12H15N5/c1-13-12-16-15-11(17(12)2)9-7-14-10-6-4-3-5-8(9)10/h3-6,9,14H,7H2,1-2H3,(H,13,16)
InChIKeyXTWZXHGHXSTVRI-UHFFFAOYSA-N
XLogP1.41
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine (CID 112596966) is 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is CNc1nnc(C2CNc3ccccc32)n1C.
What is the InChIKey of 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is XTWZXHGHXSTVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-13-12-16-15-11(17(12)2)9-7-14-10-6-4-3-5-8(9)10/h3-6,9,14H,7H2,1-2H3,(H,13,16).
What are the key properties of 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine?
5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 229.29 g/mol, XLogP of 1.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-indol-3-yl)-N,4-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112596966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).