1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

C14H23N7O — CID 51105031

IUPAC1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNCc1nncn1C
InChIInChI=1S/C14H23N7O/c1-11-12(8-15-9-13-17-16-10-19(13)2)14(20(3)18-11)21-4-6-22-7-5-21/h10,15H,4-9H2,1-3H3
InChIKeyAOUNDZHIRGOKBY-UHFFFAOYSA-N
MW305.39 g/mol
LogP-0.02
Rot. Bonds5

About 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine

1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (PubChem CID 51105031) has the molecular formula C14H23N7O and a molecular weight of 305.39 g/mol. Its IUPAC name is 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
PubChem CID51105031
Molecular FormulaC14H23N7O
Molecular Weight305.39 g/mol
Exact Mass305.20
IUPAC Name1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
SMILESCc1nn(C)c(N2CCOCC2)c1CNCc1nncn1C
InChIInChI=1S/C14H23N7O/c1-11-12(8-15-9-13-17-16-10-19(13)2)14(20(3)18-11)21-4-6-22-7-5-21/h10,15H,4-9H2,1-3H3
InChIKeyAOUNDZHIRGOKBY-UHFFFAOYSA-N
XLogP-0.02
TPSA73.03 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine (CID 51105031) is 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is Cc1nn(C)c(N2CCOCC2)c1CNCc1nncn1C.
What is the InChIKey of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
The InChIKey is AOUNDZHIRGOKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7O/c1-11-12(8-15-9-13-17-16-10-19(13)2)14(20(3)18-11)21-4-6-22-7-5-21/h10,15H,4-9H2,1-3H3.
What are the key properties of 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine?
1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine has a molecular weight of 305.39 g/mol, XLogP of -0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine is sourced from PubChem (CID 51105031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).