N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide

C11H21N5O — CID 114222846

IUPACN,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
SMILESCCCn1nncc1NCC(=O)N(CC)CC
InChIInChI=1S/C11H21N5O/c1-4-7-16-10(8-13-14-16)12-9-11(17)15(5-2)6-3/h8,12H,4-7,9H2,1-3H3
InChIKeyAPSKWZOBHSGMDN-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.97
Rot. Bonds7

About N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide

N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide (PubChem CID 114222846) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
PubChem CID114222846
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC NameN,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide
SMILESCCCn1nncc1NCC(=O)N(CC)CC
InChIInChI=1S/C11H21N5O/c1-4-7-16-10(8-13-14-16)12-9-11(17)15(5-2)6-3/h8,12H,4-7,9H2,1-3H3
InChIKeyAPSKWZOBHSGMDN-UHFFFAOYSA-N
XLogP0.97
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propan-2-yl-3-propyltriazol-4-amine
CID 130486605
2-[(5-bromo-1-butyl-6-oxopyridazin-4-yl)amino]-N,N-diethylacetamide
CID 114441459
N-ethyl-2-[(3-propyltriazol-4-yl)amino]ethanesulfonamide
CID 114222897
N-[4-(2-methoxyethoxy)butyl]-3-propyltriazol-4-amine
CID 114222854
1-phenyl-2-[(3-propyltriazol-4-yl)amino]ethanol
CID 114222733
N,N-diethyl-2-[(5-methylpyrimidin-2-yl)amino]acetamide
CID 115773989
N'-cyclopentyl-N'-methyl-N-(3-propyltriazol-4-yl)ethane-1,2-diamine
CID 114222797
N-(3-chlorocyclobutyl)-3-propyltriazol-4-amine
CID 130487095
N-(2-bromoprop-2-enyl)-3-ethyltriazol-4-amine
CID 130486387
N-[[2-(chloromethyl)cyclohexyl]methyl]-3-propyltriazol-4-amine
CID 114223433
diethyl 2-(3-propyltriazol-4-yl)propanedioate
CID 114690044
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propyltriazol-4-amine
CID 114222902

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide?
The IUPAC name of N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide (CID 114222846) is N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide is CCCn1nncc1NCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide?
The InChIKey is APSKWZOBHSGMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-4-7-16-10(8-13-14-16)12-9-11(17)15(5-2)6-3/h8,12H,4-7,9H2,1-3H3.
What are the key properties of N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide?
N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(3-propyltriazol-4-yl)amino]acetamide is sourced from PubChem (CID 114222846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).