5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine

C9H17N5 — CID 112597567

IUPAC5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2CNC2)n1CC
InChIInChI=1S/C9H17N5/c1-3-11-9-13-12-8(14(9)4-2)7-5-10-6-7/h7,10H,3-6H2,1-2H3,(H,11,13)
InChIKeyKPIMYIKUSVHXTN-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.42
Rot. Bonds4

About 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine

5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112597567) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112597567
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2CNC2)n1CC
InChIInChI=1S/C9H17N5/c1-3-11-9-13-12-8(14(9)4-2)7-5-10-6-7/h7,10H,3-6H2,1-2H3,(H,11,13)
InChIKeyKPIMYIKUSVHXTN-UHFFFAOYSA-N
XLogP0.42
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,4-diethyl-5-piperidin-4-yl-1,2,4-triazol-3-amine
CID 112597415
(3S,5S)-5-[4-ethyl-5-(ethylamino)-1,2,4-triazol-3-yl]pyrrolidin-3-ol
CID 104912666
N,4-diethyl-5-thiomorpholin-3-yl-1,2,4-triazol-3-amine
CID 112597518
N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine
CID 112597515
N,4-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-triazol-3-amine
CID 115945513
3-N,4-diethyl-1,2,4-triazole-3,5-diamine
CID 112597568
N,4-diethyl-5-(ethylaminomethyl)-1,2,4-triazol-3-amine
CID 112597376
5-ethoxy-N,4-diethyl-1,2,4-triazol-3-amine
CID 112596633
5-(2,4-dimethylpentan-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 114282225
3-(azetidin-3-yl)-4-ethyl-1,2,4-triazole
CID 79316888
3-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)piperidine
CID 3231623
N,4-diethyl-5-(1-phenylcyclopropyl)-1,2,4-triazol-3-amine
CID 112596825

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 112597567) is 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(C2CNC2)n1CC.
What is the InChIKey of 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is KPIMYIKUSVHXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-3-11-9-13-12-8(14(9)4-2)7-5-10-6-7/h7,10H,3-6H2,1-2H3,(H,11,13).
What are the key properties of 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 195.27 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).