1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

C20H23N5O — CID 56913905

IUPAC1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-n2cc(CN(Cc3ccccn3)CC3CCCO3)nn2)cc1
InChIInChI=1S/C20H23N5O/c1-2-8-19(9-3-1)25-15-18(22-23-25)14-24(16-20-10-6-12-26-20)13-17-7-4-5-11-21-17/h1-5,7-9,11,15,20H,6,10,12-14,16H2
InChIKeyQQNRPMLAYDGHGI-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.84
Rot. Bonds7

About 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine

1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56913905) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56913905
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(-n2cc(CN(Cc3ccccn3)CC3CCCO3)nn2)cc1
InChIInChI=1S/C20H23N5O/c1-2-8-19(9-3-1)25-15-18(22-23-25)14-24(16-20-10-6-12-26-20)13-17-7-4-5-11-21-17/h1-5,7-9,11,15,20H,6,10,12-14,16H2
InChIKeyQQNRPMLAYDGHGI-UHFFFAOYSA-N
XLogP2.84
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine (CID 56913905) is 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(-n2cc(CN(Cc3ccccn3)CC3CCCO3)nn2)cc1.
What is the InChIKey of 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is QQNRPMLAYDGHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-2-8-19(9-3-1)25-15-18(22-23-25)14-24(16-20-10-6-12-26-20)13-17-7-4-5-11-21-17/h1-5,7-9,11,15,20H,6,10,12-14,16H2.
What are the key properties of 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine?
1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 349.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-[(1-phenyltriazol-4-yl)methyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56913905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).