(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine

C19H25N7O — CID 129003334

IUPAC(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2NCc2cn(Cc3cccnc3)nn2)cn1
InChIInChI=1S/C19H25N7O/c1-2-25-13-16(10-22-25)19-18(6-4-8-27-19)21-11-17-14-26(24-23-17)12-15-5-3-7-20-9-15/h3,5,7,9-10,13-14,18-19,21H,2,4,6,8,11-12H2,1H3/t18-,19+/m0/s1
InChIKeyQNAIVDDOVIGRJO-RBUKOAKNSA-N
MW367.46 g/mol
LogP1.95
Rot. Bonds7

About (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine

(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine (PubChem CID 129003334) has the molecular formula C19H25N7O and a molecular weight of 367.46 g/mol. Its IUPAC name is (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
PubChem CID129003334
Molecular FormulaC19H25N7O
Molecular Weight367.46 g/mol
Exact Mass367.21
IUPAC Name(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2NCc2cn(Cc3cccnc3)nn2)cn1
InChIInChI=1S/C19H25N7O/c1-2-25-13-16(10-22-25)19-18(6-4-8-27-19)21-11-17-14-26(24-23-17)12-15-5-3-7-20-9-15/h3,5,7,9-10,13-14,18-19,21H,2,4,6,8,11-12H2,1H3/t18-,19+/m0/s1
InChIKeyQNAIVDDOVIGRJO-RBUKOAKNSA-N
XLogP1.95
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]propan-2-amine
CID 66194729
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine
CID 129007116
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 129005578
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(3-fluoro-4-pyridinyl)urea
CID 128993229
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]pyrazin-2-amine
CID 99795955
(2S,3S)-2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 97336721
2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 75445170
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-oxo-1H-2-benzofuran-5-sulfonamide
CID 128968897

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine?
The IUPAC name of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine (CID 129003334) is (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine?
The canonical SMILES for (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine is CCn1cc([C@H]2OCCC[C@@H]2NCc2cn(Cc3cccnc3)nn2)cn1.
What is the InChIKey of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine?
The InChIKey is QNAIVDDOVIGRJO-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H25N7O/c1-2-25-13-16(10-22-25)19-18(6-4-8-27-19)21-11-17-14-26(24-23-17)12-15-5-3-7-20-9-15/h3,5,7,9-10,13-14,18-19,21H,2,4,6,8,11-12H2,1H3/t18-,19+/m0/s1.
What are the key properties of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine?
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine has a molecular weight of 367.46 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine is sourced from PubChem (CID 129003334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).