N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine

C12H23N5O — CID 112597515

IUPACN,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2COCC2NCC)n1CC
InChIInChI=1S/C12H23N5O/c1-4-13-10-8-18-7-9(10)11-15-16-12(14-5-2)17(11)6-3/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyCMEUZAJJTOGRKH-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.82
Rot. Bonds6

About N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine

N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine (PubChem CID 112597515) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine
PubChem CID112597515
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC NameN,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine
SMILESCCNc1nnc(C2COCC2NCC)n1CC
InChIInChI=1S/C12H23N5O/c1-4-13-10-8-18-7-9(10)11-15-16-12(14-5-2)17(11)6-3/h9-10,13H,4-8H2,1-3H3,(H,14,16)
InChIKeyCMEUZAJJTOGRKH-UHFFFAOYSA-N
XLogP0.82
TPSA64.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine?
The IUPAC name of N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine (CID 112597515) is N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine is CCNc1nnc(C2COCC2NCC)n1CC.
What is the InChIKey of N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine?
The InChIKey is CMEUZAJJTOGRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-13-10-8-18-7-9(10)11-15-16-12(14-5-2)17(11)6-3/h9-10,13H,4-8H2,1-3H3,(H,14,16).
What are the key properties of N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine?
N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine has a molecular weight of 253.35 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diethyl-5-[4-(ethylamino)oxolan-3-yl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 112597515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).