2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine

C12H17N5O — CID 72933885

IUPAC2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2ccc(OC)nc2)nc1N(C)C
InChIInChI=1S/C12H17N5O/c1-5-17-12(16(2)3)14-11(15-17)9-6-7-10(18-4)13-8-9/h6-8H,5H2,1-4H3
InChIKeyNVRLCLNKKNYRLT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds4

About 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine

2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine (PubChem CID 72933885) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine
PubChem CID72933885
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine
SMILESCCn1nc(-c2ccc(OC)nc2)nc1N(C)C
InChIInChI=1S/C12H17N5O/c1-5-17-12(16(2)3)14-11(15-17)9-6-7-10(18-4)13-8-9/h6-8H,5H2,1-4H3
InChIKeyNVRLCLNKKNYRLT-UHFFFAOYSA-N
XLogP1.43
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine (CID 72933885) is 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine is CCn1nc(-c2ccc(OC)nc2)nc1N(C)C.
What is the InChIKey of 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is NVRLCLNKKNYRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-5-17-12(16(2)3)14-11(15-17)9-6-7-10(18-4)13-8-9/h6-8H,5H2,1-4H3.
What are the key properties of 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine?
2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 247.30 g/mol, XLogP of 1.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(6-methoxy-3-pyridinyl)-N,N-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 72933885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).