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

C10H21N5 — CID 112597470

IUPAC5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C)CCN)n1CC
InChIInChI=1S/C10H21N5/c1-4-12-10-14-13-9(15(10)5-2)8(3)6-7-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyDUTSKADLRJHICX-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.18
Rot. Bonds6

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

5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine (PubChem CID 112597470) has the molecular formula C10H21N5 and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine
PubChem CID112597470
Molecular FormulaC10H21N5
Molecular Weight211.31 g/mol
Exact Mass211.18
IUPAC Name5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C(C)CCN)n1CC
InChIInChI=1S/C10H21N5/c1-4-12-10-14-13-9(15(10)5-2)8(3)6-7-11/h8H,4-7,11H2,1-3H3,(H,12,14)
InChIKeyDUTSKADLRJHICX-UHFFFAOYSA-N
XLogP1.18
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine (CID 112597470) is 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine is CCNc1nnc(C(C)CCN)n1CC.
What is the InChIKey of 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
The InChIKey is DUTSKADLRJHICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N5/c1-4-12-10-14-13-9(15(10)5-2)8(3)6-7-11/h8H,4-7,11H2,1-3H3,(H,12,14).
What are the key properties of 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine?
5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine has a molecular weight of 211.31 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminobutan-2-yl)-N,4-diethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).