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

C15H24N6O — CID 154761305

IUPAC1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1cc([C@@H]2OCCC[C@H]2CNCc2nncn2C)cn1
InChIInChI=1S/C15H24N6O/c1-3-21-10-13(8-18-21)15-12(5-4-6-22-15)7-16-9-14-19-17-11-20(14)2/h8,10-12,15-16H,3-7,9H2,1-2H3/t12-,15+/m0/s1
InChIKeyGNBVPWYZQGSUSO-SWLSCSKDSA-N
MW304.40 g/mol
LogP1.29
Rot. Bonds6

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

1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 154761305) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID154761305
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCCn1cc([C@@H]2OCCC[C@H]2CNCc2nncn2C)cn1
InChIInChI=1S/C15H24N6O/c1-3-21-10-13(8-18-21)15-12(5-4-6-22-15)7-16-9-14-19-17-11-20(14)2/h8,10-12,15-16H,3-7,9H2,1-2H3/t12-,15+/m0/s1
InChIKeyGNBVPWYZQGSUSO-SWLSCSKDSA-N
XLogP1.29
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 97060263
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929279
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749
1-[(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(1H-imidazol-2-ylmethyl)methanamine
CID 97060246
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997531
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 96997495
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(furan-2-ylmethyl)methanamine
CID 96997534
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060257
1-[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 97060259

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 154761305) is 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is CCn1cc([C@@H]2OCCC[C@H]2CNCc2nncn2C)cn1.
What is the InChIKey of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is GNBVPWYZQGSUSO-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H24N6O/c1-3-21-10-13(8-18-21)15-12(5-4-6-22-15)7-16-9-14-19-17-11-20(14)2/h8,10-12,15-16H,3-7,9H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 304.40 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 154761305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).