1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

C17H25N5O — CID 38051296

IUPAC1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1cccnc1N1CCOCC1
InChIInChI=1S/C17H25N5O/c1-13-16(14(2)21(3)20-13)12-18-11-15-5-4-6-19-17(15)22-7-9-23-10-8-22/h4-6,18H,7-12H2,1-3H3
InChIKeyVWNMJVANSRLBDR-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.56
Rot. Bonds5

About 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine

1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (PubChem CID 38051296) has the molecular formula C17H25N5O and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
PubChem CID38051296
Molecular FormulaC17H25N5O
Molecular Weight315.42 g/mol
Exact Mass315.21
IUPAC Name1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine
SMILESCc1nn(C)c(C)c1CNCc1cccnc1N1CCOCC1
InChIInChI=1S/C17H25N5O/c1-13-16(14(2)21(3)20-13)12-18-11-15-5-4-6-19-17(15)22-7-9-23-10-8-22/h4-6,18H,7-12H2,1-3H3
InChIKeyVWNMJVANSRLBDR-UHFFFAOYSA-N
XLogP1.56
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine (CID 38051296) is 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is Cc1nn(C)c(C)c1CNCc1cccnc1N1CCOCC1.
What is the InChIKey of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
The InChIKey is VWNMJVANSRLBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O/c1-13-16(14(2)21(3)20-13)12-18-11-15-5-4-6-19-17(15)22-7-9-23-10-8-22/h4-6,18H,7-12H2,1-3H3.
What are the key properties of 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine?
1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine has a molecular weight of 315.42 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-yl-3-pyridinyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 38051296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).