3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole

C14H26N4O2 — CID 128981046

IUPAC3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1CN1C[C@H](OC)C[C@H]1COC
InChIInChI=1S/C14H26N4O2/c1-5-6-18-11(2)15-16-14(18)9-17-8-13(20-4)7-12(17)10-19-3/h12-13H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyMQISZEQNNSVUMT-QWHCGFSZSA-N
MW282.39 g/mol
LogP1.23
Rot. Bonds7

About 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole

3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole (PubChem CID 128981046) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole
PubChem CID128981046
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole
SMILESCCCn1c(C)nnc1CN1C[C@H](OC)C[C@H]1COC
InChIInChI=1S/C14H26N4O2/c1-5-6-18-11(2)15-16-14(18)9-17-8-13(20-4)7-12(17)10-19-3/h12-13H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyMQISZEQNNSVUMT-QWHCGFSZSA-N
XLogP1.23
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[(2S,4R)-4-methoxy-2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole
CID 128982685
5-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1-phenyltetrazole
CID 128982309
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,2-oxazole
CID 167919502
1-tert-butyl-4-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]triazole
CID 128980052
(3S)-3-[(1S,2S)-2-methoxycyclopentyl]-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 129346024
2-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-(2-methylphenyl)-1,3-oxazole
CID 154745361
N-cyclopropyl-N-[[(2S)-1-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129344461
4-methoxy-2-methyl-1-propylpyrrolidine
CID 59733967
5-(3-fluorophenyl)-2-[[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-oxazole
CID 128982322
2-methyl-1-(5-methyl-4-propyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64670523
(3S)-3-(4-methylphenyl)-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]thiomorpholine
CID 124594414
(3R)-3-(4-methylphenyl)-4-[(5-methyl-4-propyl-1,2,4-triazol-3-yl)methyl]thiomorpholine
CID 124594415

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole?
The IUPAC name of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole (CID 128981046) is 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole.
What is the SMILES notation for 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole?
The canonical SMILES for 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole is CCCn1c(C)nnc1CN1C[C@H](OC)C[C@H]1COC.
What is the InChIKey of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole?
The InChIKey is MQISZEQNNSVUMT-QWHCGFSZSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-5-6-18-11(2)15-16-14(18)9-17-8-13(20-4)7-12(17)10-19-3/h12-13H,5-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole?
3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole has a molecular weight of 282.39 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-5-methyl-4-propyl-1,2,4-triazole is sourced from PubChem (CID 128981046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).