N-ethyl-1,2,4-triazol-4-amine

C4H8N4 — CID 3284710

IUPACN-ethyl-1,2,4-triazol-4-amine
SMILESCCNn1cnnc1
InChIInChI=1S/C4H8N4/c1-2-7-8-3-5-6-4-8/h3-4,7H,2H2,1H3
InChIKeyIRALXNALLZVECH-UHFFFAOYSA-N
MW112.14 g/mol
LogP-0.16
Rot. Bonds2

About N-ethyl-1,2,4-triazol-4-amine

N-ethyl-1,2,4-triazol-4-amine (PubChem CID 3284710) has the molecular formula C4H8N4 and a molecular weight of 112.14 g/mol. Its IUPAC name is N-ethyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound NameN-ethyl-1,2,4-triazol-4-amine
PubChem CID3284710
Molecular FormulaC4H8N4
Molecular Weight112.14 g/mol
Exact Mass112.07
IUPAC NameN-ethyl-1,2,4-triazol-4-amine
SMILESCCNn1cnnc1
InChIInChI=1S/C4H8N4/c1-2-7-8-3-5-6-4-8/h3-4,7H,2H2,1H3
InChIKeyIRALXNALLZVECH-UHFFFAOYSA-N
XLogP-0.16
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.14
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2-(1,2,4-triazol-4-ylamino)propanenitrile
CID 650754
1-ethyl-1-(1H-1,2,4-triazol-5-yl)hydrazine
CID 72950781
N-ethyl-N'-(4H-1,2,4-triazol-4-yl)thiourea
CID 1485045
N-propan-2-yl-1,2,4-triazol-4-amine
CID 3352461
N-Isobutyl-4H-1,2,4-triazol-4-amine
CID 3539625
N-methyl-1,2,4-triazol-4-amine
CID 3763526
1-Ethyl-1,2,4-triazol-4-ium-4-amine
CID 4655292
N-butyl-4H-1,2,4-triazol-4-amine
CID 14117888
N-propyl-1,2,4-triazol-4-amine
CID 15397097
N-pentyl-1,2,4-triazol-4-amine
CID 15397098
1-(1,2,4-Triazol-4-yl)ethanamine
CID 18375522
N-ethyl-1,2,4-triazol-1-amine
CID 19994970

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,4-triazol-4-amine?
The IUPAC name of N-ethyl-1,2,4-triazol-4-amine (CID 3284710) is N-ethyl-1,2,4-triazol-4-amine.
What is the SMILES notation for N-ethyl-1,2,4-triazol-4-amine?
The canonical SMILES for N-ethyl-1,2,4-triazol-4-amine is CCNn1cnnc1.
What is the InChIKey of N-ethyl-1,2,4-triazol-4-amine?
The InChIKey is IRALXNALLZVECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4/c1-2-7-8-3-5-6-4-8/h3-4,7H,2H2,1H3.
What are the key properties of N-ethyl-1,2,4-triazol-4-amine?
N-ethyl-1,2,4-triazol-4-amine has a molecular weight of 112.14 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 3284710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).