[3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone

C15H25N5O2 — CID 146153471

IUPAC[3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone
SMILESCCN(CC)Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3OC)C2)nn1
InChIInChI=1S/C15H25N5O2/c1-4-18(5-2)7-11-8-20(17-16-11)12-9-19(10-12)15(21)13-6-14(13)22-3/h8,12-14H,4-7,9-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyFEPDRNLKGZWAMH-ZIAGYGMSSA-N
MW307.40 g/mol
LogP0.54
Rot. Bonds7

About [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone

[3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone (PubChem CID 146153471) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone.

Molecular Properties

Compound Name[3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone
PubChem CID146153471
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone
SMILESCCN(CC)Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3OC)C2)nn1
InChIInChI=1S/C15H25N5O2/c1-4-18(5-2)7-11-8-20(17-16-11)12-9-19(10-12)15(21)13-6-14(13)22-3/h8,12-14H,4-7,9-10H2,1-3H3/t13-,14-/m1/s1
InChIKeyFEPDRNLKGZWAMH-ZIAGYGMSSA-N
XLogP0.54
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone?
The IUPAC name of [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone (CID 146153471) is [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone.
What is the SMILES notation for [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone?
The canonical SMILES for [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone is CCN(CC)Cc1cn(C2CN(C(=O)[C@@H]3C[C@H]3OC)C2)nn1.
What is the InChIKey of [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone?
The InChIKey is FEPDRNLKGZWAMH-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-4-18(5-2)7-11-8-20(17-16-11)12-9-19(10-12)15(21)13-6-14(13)22-3/h8,12-14H,4-7,9-10H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone?
[3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone has a molecular weight of 307.40 g/mol, XLogP of 0.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(diethylaminomethyl)triazol-1-yl]azetidin-1-yl]-[(1R,2R)-2-methoxycyclopropyl]methanone is sourced from PubChem (CID 146153471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).