N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide

C14H25N5O — CID 66192880

IUPACN-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
SMILESCCN(C(=O)Cn1cc(CNCC(C)C)nn1)C1CC1
InChIInChI=1S/C14H25N5O/c1-4-19(13-5-6-13)14(20)10-18-9-12(16-17-18)8-15-7-11(2)3/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyFLHCIUONNYRFEF-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.03
Rot. Bonds8

About N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide

N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide (PubChem CID 66192880) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
PubChem CID66192880
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide
SMILESCCN(C(=O)Cn1cc(CNCC(C)C)nn1)C1CC1
InChIInChI=1S/C14H25N5O/c1-4-19(13-5-6-13)14(20)10-18-9-12(16-17-18)8-15-7-11(2)3/h9,11,13,15H,4-8,10H2,1-3H3
InChIKeyFLHCIUONNYRFEF-UHFFFAOYSA-N
XLogP1.03
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopropyl-N-[1-(propan-2-yl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219939
2-(diethylamino)-N-[(1-heptyltriazol-4-yl)methyl]acetamide
CID 51050543
(4R)-4-{4-[(diethylamino)methyl]-1H-1,2,3-triazol-1-yl}-N-ethyl-L-prolinamide
CID 56715148
N-(Cyclopropylmethyl)-1-(1-propanoylazetidin-3-YL)-1H-1,2,3-triazole-4-carboxamide
CID 91923606
1-cyclopropyl-N-(3-(dimethylamino)propyl)-1H-1,2,3-triazole-4-carboxamide
CID 132210955
1-cyclopropyl-N-(1-methylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219936
1-cyclopropyl-N-(1-ethylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219937
1-cyclopropyl-N-(1-propylazetidin-3-yl)-1H-1,2,3-triazole-4-carboxamide
CID 132219938
1-cyclopropyl-N-[1-(2-methylpropyl)azetidin-3-yl]-1H-1,2,3-triazole-4-carboxamide
CID 132219942
1-(1-Acetylazetidin-3-YL)-N-(cyclopropylmethyl)-1H-1,2,3-triazole-4-carboxamide
CID 91911451
2-[2-Methylpropyl-[(1-methyltriazol-4-yl)methyl]amino]acetamide
CID 132355680
N-[[1-[(2S)-1-cyclopropyl-1-oxopropan-2-yl]triazol-4-yl]methyl]-2-ethylbutanamide
CID 164629904

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide (CID 66192880) is N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide is CCN(C(=O)Cn1cc(CNCC(C)C)nn1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
The InChIKey is FLHCIUONNYRFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-4-19(13-5-6-13)14(20)10-18-9-12(16-17-18)8-15-7-11(2)3/h9,11,13,15H,4-8,10H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide?
N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide has a molecular weight of 279.39 g/mol, XLogP of 1.03, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-[4-[(2-methylpropylamino)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 66192880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).