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

C6H13N5 — CID 60910687

IUPAC1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine
SMILESCN(C)CCn1cnc(N)n1
InChIInChI=1S/C6H13N5/c1-10(2)3-4-11-5-8-6(7)9-11/h5H,3-4H2,1-2H3,(H2,7,9)
InChIKeyOMUDAIGOKVMWNC-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.58
Rot. Bonds3

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

1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine (PubChem CID 60910687) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine
PubChem CID60910687
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC Name1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine
SMILESCN(C)CCn1cnc(N)n1
InChIInChI=1S/C6H13N5/c1-10(2)3-4-11-5-8-6(7)9-11/h5H,3-4H2,1-2H3,(H2,7,9)
InChIKeyOMUDAIGOKVMWNC-UHFFFAOYSA-N
XLogP-0.58
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.58
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]-1,2,4-triazol-3-amine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine (CID 60910687) is 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine is CN(C)CCn1cnc(N)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine?
The InChIKey is OMUDAIGOKVMWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-10(2)3-4-11-5-8-6(7)9-11/h5H,3-4H2,1-2H3,(H2,7,9).
What are the key properties of 1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine?
1-[2-(dimethylamino)ethyl]-1,2,4-triazol-3-amine has a molecular weight of 155.20 g/mol, XLogP of -0.58, 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]-1,2,4-triazol-3-amine is sourced from PubChem (CID 60910687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).