1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine

C15H21N7 — CID 126917379

IUPAC1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
SMILESCN(Cc1nncn1C)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C15H21N7/c1-20(9-15-18-16-10-21(15)2)12-7-22(8-12)14-6-5-13(17-19-14)11-3-4-11/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyLGJUEMPGSBJZFS-UHFFFAOYSA-N
MW299.38 g/mol
LogP0.80
Rot. Bonds5

About 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine

1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine (PubChem CID 126917379) has the molecular formula C15H21N7 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine.

Molecular Properties

Compound Name1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
PubChem CID126917379
Molecular FormulaC15H21N7
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC Name1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine
SMILESCN(Cc1nncn1C)C1CN(c2ccc(C3CC3)nn2)C1
InChIInChI=1S/C15H21N7/c1-20(9-15-18-16-10-21(15)2)12-7-22(8-12)14-6-5-13(17-19-14)11-3-4-11/h5-6,10-12H,3-4,7-9H2,1-2H3
InChIKeyLGJUEMPGSBJZFS-UHFFFAOYSA-N
XLogP0.80
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine?
The IUPAC name of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine (CID 126917379) is 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine.
What is the SMILES notation for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine?
The canonical SMILES for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine is CN(Cc1nncn1C)C1CN(c2ccc(C3CC3)nn2)C1.
What is the InChIKey of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine?
The InChIKey is LGJUEMPGSBJZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7/c1-20(9-15-18-16-10-21(15)2)12-7-22(8-12)14-6-5-13(17-19-14)11-3-4-11/h5-6,10-12H,3-4,7-9H2,1-2H3.
What are the key properties of 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine?
1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine has a molecular weight of 299.38 g/mol, XLogP of 0.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclopropylpyridazin-3-yl)-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 126917379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).