N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide

C13H25N5O — CID 103108669

IUPACN-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1ncnn1CC(C)C
InChIInChI=1S/C13H25N5O/c1-6-17(5)13(19)11(4)14-7-12-15-9-16-18(12)8-10(2)3/h9-11,14H,6-8H2,1-5H3
InChIKeyMQBACMOPBQNQOZ-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.89
Rot. Bonds7

About N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide

N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide (PubChem CID 103108669) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
PubChem CID103108669
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide
SMILESCCN(C)C(=O)C(C)NCc1ncnn1CC(C)C
InChIInChI=1S/C13H25N5O/c1-6-17(5)13(19)11(4)14-7-12-15-9-16-18(12)8-10(2)3/h9-11,14H,6-8H2,1-5H3
InChIKeyMQBACMOPBQNQOZ-UHFFFAOYSA-N
XLogP0.89
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
The IUPAC name of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide (CID 103108669) is N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide.
What is the SMILES notation for N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
The canonical SMILES for N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide is CCN(C)C(=O)C(C)NCc1ncnn1CC(C)C.
What is the InChIKey of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
The InChIKey is MQBACMOPBQNQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-6-17(5)13(19)11(4)14-7-12-15-9-16-18(12)8-10(2)3/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide?
N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide has a molecular weight of 267.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-methyl-2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]propanamide is sourced from PubChem (CID 103108669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).