(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine

C19H34N4O — CID 97436801

IUPAC(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine
SMILESCCCCn1nc(C2CCCC2)nc1C[C@H]1CN(C(C)C)CCO1
InChIInChI=1S/C19H34N4O/c1-4-5-10-23-18(20-19(21-23)16-8-6-7-9-16)13-17-14-22(15(2)3)11-12-24-17/h15-17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyWGHMTYWCYZFFRD-KRWDZBQOSA-N
MW334.51 g/mol
LogP3.39
Rot. Bonds7

About (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine

(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine (PubChem CID 97436801) has the molecular formula C19H34N4O and a molecular weight of 334.51 g/mol. Its IUPAC name is (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine
PubChem CID97436801
Molecular FormulaC19H34N4O
Molecular Weight334.51 g/mol
Exact Mass334.27
IUPAC Name(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine
SMILESCCCCn1nc(C2CCCC2)nc1C[C@H]1CN(C(C)C)CCO1
InChIInChI=1S/C19H34N4O/c1-4-5-10-23-18(20-19(21-23)16-8-6-7-9-16)13-17-14-22(15(2)3)11-12-24-17/h15-17H,4-14H2,1-3H3/t17-/m0/s1
InChIKeyWGHMTYWCYZFFRD-KRWDZBQOSA-N
XLogP3.39
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.51
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butyl-3-cyclopentyl-5-[(2R)-1,4-dioxan-2-yl]-1,2,4-triazole
CID 97436385
5-cyclopentyl-1-[[(2S)-1,4-dioxan-2-yl]methyl]-3-methyl-1,2,4-triazole
CID 125526210
5-(1,4-dioxan-2-yl)-N-(2-methoxyethyl)-N-methyl-4-[(3-methylcyclopentyl)methyl]-1,2,4-triazol-3-amine
CID 132322642
1-[5-(Cyclopentylmethyl)-4-methyl-1,2,4-triazol-3-yl]-3-(2,2,2-trifluoroethoxy)piperidine
CID 132287319
4-[5-Cyclopropyl-4-[(3,3-difluorocyclopentyl)methyl]-1,2,4-triazol-3-yl]-2-methylmorpholine
CID 132322761
4-(5-Cyclohexyl-4-methyl-1,2,4-triazol-3-yl)morpholine
CID 140111462
2-(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 62722881
4-[(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methoxy]piperidine
CID 63876171
4-[2-(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)ethoxy]piperidine
CID 63876172
3-(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)morpholine
CID 65546861
2-[(5-Cyclopentyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 66434911
2-[(5-Cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 66434912

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine?
The IUPAC name of (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine (CID 97436801) is (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine.
What is the SMILES notation for (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine?
The canonical SMILES for (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine is CCCCn1nc(C2CCCC2)nc1C[C@H]1CN(C(C)C)CCO1.
What is the InChIKey of (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine?
The InChIKey is WGHMTYWCYZFFRD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H34N4O/c1-4-5-10-23-18(20-19(21-23)16-8-6-7-9-16)13-17-14-22(15(2)3)11-12-24-17/h15-17H,4-14H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine?
(2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine has a molecular weight of 334.51 g/mol, XLogP of 3.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-butyl-5-cyclopentyl-1,2,4-triazol-3-yl)methyl]-4-propan-2-ylmorpholine is sourced from PubChem (CID 97436801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).