(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

C17H28N6O — CID 128974749

IUPAC(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ncnn1CC(C)C
InChIInChI=1S/C17H28N6O/c1-11(2)9-23-15(19-10-20-23)8-18-14-6-7-24-17(14)16-12(3)21-22(5)13(16)4/h10-11,14,17-18H,6-9H2,1-5H3/t14-,17-/m0/s1
InChIKeyDCBFCMXGGGDMBO-YOEHRIQHSA-N
MW332.45 g/mol
LogP1.90
Rot. Bonds6

About (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine

(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (PubChem CID 128974749) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
PubChem CID128974749
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ncnn1CC(C)C
InChIInChI=1S/C17H28N6O/c1-11(2)9-23-15(19-10-20-23)8-18-14-6-7-24-17(14)16-12(3)21-22(5)13(16)4/h10-11,14,17-18H,6-9H2,1-5H3/t14-,17-/m0/s1
InChIKeyDCBFCMXGGGDMBO-YOEHRIQHSA-N
XLogP1.90
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
CID 167896430
4-ethyl-2-[[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]methyl]-1H-pyrimidin-6-one
CID 154753423
(2R,3S)-N-(1-ethylsulfonylpropan-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 129006792
(2R,3S)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 128973879
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methyloxolan-3-amine
CID 82726489
1-[2-[[(2S,3R)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethyl]imidazolidin-2-one
CID 136586038
2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine
CID 122235494
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129326780
(1S)-1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methylamino]-2,3-dihydro-1H-inden-4-ol
CID 164638376
[2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]hydrazine
CID 105317661
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128994464
[2-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]cyclobutyl]methanamine
CID 81011154

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The IUPAC name of (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine (CID 128974749) is (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine.
What is the SMILES notation for (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The canonical SMILES for (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1NCc1ncnn1CC(C)C.
What is the InChIKey of (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
The InChIKey is DCBFCMXGGGDMBO-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H28N6O/c1-11(2)9-23-15(19-10-20-23)8-18-14-6-7-24-17(14)16-12(3)21-22(5)13(16)4/h10-11,14,17-18H,6-9H2,1-5H3/t14-,17-/m0/s1.
What are the key properties of (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine?
(2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine has a molecular weight of 332.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-amine is sourced from PubChem (CID 128974749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).