1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine

C7H15N5 — CID 79521531

IUPAC1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)nn1CCN(C)C
InChIInChI=1S/C7H15N5/c1-6-9-7(8)10-12(6)5-4-11(2)3/h4-5H2,1-3H3,(H2,8,10)
InChIKeyVUUAPFMXDCYTCT-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.27
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine

1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine (PubChem CID 79521531) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine
PubChem CID79521531
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine
SMILESCc1nc(N)nn1CCN(C)C
InChIInChI=1S/C7H15N5/c1-6-9-7(8)10-12(6)5-4-11(2)3/h4-5H2,1-3H3,(H2,8,10)
InChIKeyVUUAPFMXDCYTCT-UHFFFAOYSA-N
XLogP-0.27
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine (CID 79521531) is 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine is Cc1nc(N)nn1CCN(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine?
The InChIKey is VUUAPFMXDCYTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-6-9-7(8)10-12(6)5-4-11(2)3/h4-5H2,1-3H3,(H2,8,10).
What are the key properties of 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine?
1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine has a molecular weight of 169.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-5-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 79521531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).