2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide

C15H29N5O — CID 66193073

IUPAC2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H29N5O/c1-5-7-19(8-6-2)15(21)12-20-11-14(17-18-20)10-16-9-13(3)4/h11,13,16H,5-10,12H2,1-4H3
InChIKeyPYOVMGFGZIKQIC-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.67
Rot. Bonds10

About 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide

2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide (PubChem CID 66193073) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
PubChem CID66193073
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)Cn1cc(CNCC(C)C)nn1
InChIInChI=1S/C15H29N5O/c1-5-7-19(8-6-2)15(21)12-20-11-14(17-18-20)10-16-9-13(3)4/h11,13,16H,5-10,12H2,1-4H3
InChIKeyPYOVMGFGZIKQIC-UHFFFAOYSA-N
XLogP1.67
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide?
The IUPAC name of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide (CID 66193073) is 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide?
The canonical SMILES for 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide is CCCN(CCC)C(=O)Cn1cc(CNCC(C)C)nn1.
What is the InChIKey of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide?
The InChIKey is PYOVMGFGZIKQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5O/c1-5-7-19(8-6-2)15(21)12-20-11-14(17-18-20)10-16-9-13(3)4/h11,13,16H,5-10,12H2,1-4H3.
What are the key properties of 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide?
2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide has a molecular weight of 295.43 g/mol, XLogP of 1.67, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]-N,N-dipropylacetamide is sourced from PubChem (CID 66193073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).