N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide

C16H26F3N5O2 — CID 166294796

IUPACN-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide
SMILESCCC(C)c1n[nH]c(C(C)NC(=O)CC2COCCN2CC(F)(F)F)n1
InChIInChI=1S/C16H26F3N5O2/c1-4-10(2)14-21-15(23-22-14)11(3)20-13(25)7-12-8-26-6-5-24(12)9-16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyDQNHQUPVPWQVPV-UHFFFAOYSA-N
MW377.41 g/mol
LogP2.15
Rot. Bonds7

About N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide

N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide (PubChem CID 166294796) has the molecular formula C16H26F3N5O2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide
PubChem CID166294796
Molecular FormulaC16H26F3N5O2
Molecular Weight377.41 g/mol
Exact Mass377.20
IUPAC NameN-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide
SMILESCCC(C)c1n[nH]c(C(C)NC(=O)CC2COCCN2CC(F)(F)F)n1
InChIInChI=1S/C16H26F3N5O2/c1-4-10(2)14-21-15(23-22-14)11(3)20-13(25)7-12-8-26-6-5-24(12)9-16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,25)(H,21,22,23)
InChIKeyDQNHQUPVPWQVPV-UHFFFAOYSA-N
XLogP2.15
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-3-(5-chlorothiophen-2-yl)propanamide
CID 100623068
(3R)-N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124854101
(2R,3R)-N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-methyl-1-phenylpyrrolidine-3-carboxamide
CID 166320496
2-[(3S)-4-[(2-ethylsulfanylpyrimidin-5-yl)methyl]morpholin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95861619
N-(4-methyl-2-pyridinyl)-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 126810442
2-[[2-[7-[2-(dicarboxymethylamino)-2-oxoethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-6-yl]acetyl]amino]propanedioic acid
CID 159682108
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80997073
(3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-4-(2,2,2-trifluoroethyl)morpholine-3-carboxamide
CID 124842240
methyl 2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propanoate
CID 63909549
2-cyclopropyl-3-(3-ethylmorpholin-4-yl)-2-(propan-2-ylamino)propan-1-ol
CID 64798573
(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine
CID 170395552
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide?
The IUPAC name of N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide (CID 166294796) is N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide.
What is the SMILES notation for N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide?
The canonical SMILES for N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide is CCC(C)c1n[nH]c(C(C)NC(=O)CC2COCCN2CC(F)(F)F)n1.
What is the InChIKey of N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide?
The InChIKey is DQNHQUPVPWQVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F3N5O2/c1-4-10(2)14-21-15(23-22-14)11(3)20-13(25)7-12-8-26-6-5-24(12)9-16(17,18)19/h10-12H,4-9H2,1-3H3,(H,20,25)(H,21,22,23).
What are the key properties of N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide?
N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide has a molecular weight of 377.41 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-butan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]-2-[4-(2,2,2-trifluoroethyl)morpholin-3-yl]acetamide is sourced from PubChem (CID 166294796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).