N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine

C14H21N7O — CID 96998278

IUPACN-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCN(C[C@@H]1CN(CCn2cncn2)CCO1)c1cccnn1
InChIInChI=1S/C14H21N7O/c1-19(14-3-2-4-16-18-14)9-13-10-20(7-8-22-13)5-6-21-12-15-11-17-21/h2-4,11-13H,5-10H2,1H3/t13-/m1/s1
InChIKeyMHNJSGDTIZDHNC-CYBMUJFWSA-N
MW303.37 g/mol
LogP-0.09
Rot. Bonds6

About N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine

N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine (PubChem CID 96998278) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
PubChem CID96998278
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC NameN-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine
SMILESCN(C[C@@H]1CN(CCn2cncn2)CCO1)c1cccnn1
InChIInChI=1S/C14H21N7O/c1-19(14-3-2-4-16-18-14)9-13-10-20(7-8-22-13)5-6-21-12-15-11-17-21/h2-4,11-13H,5-10H2,1H3/t13-/m1/s1
InChIKeyMHNJSGDTIZDHNC-CYBMUJFWSA-N
XLogP-0.09
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine with MolForge

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Related Compounds

N-methyl-N-[[4-[3-(4-methyl-3-pyridinyl)propyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 167853689
2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872661
3-[(2S)-2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]-1-piperidin-1-ylpropan-1-one
CID 96998264
N-[[(2S)-4-[(2-fluorophenyl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998292
N-methyl-N-[[(2R)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 97004851
N-[[(2R)-4-[2-(3-fluorophenoxy)ethyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 96998271
N-[[4-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]-N-methylpyridazin-3-amine
CID 71872633
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872628
N-ethyl-N-[[4-(2-thiophen-2-ylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71928437
N-(furan-2-ylmethyl)-2-[2-[[methyl(pyridazin-3-yl)amino]methyl]morpholin-4-yl]acetamide
CID 71872660
N-[[4-(cyclobutylmethyl)morpholin-2-yl]methyl]-N-ethylpyridazin-3-amine
CID 71928433
N-[(4-cyclohex-2-en-1-ylmorpholin-2-yl)methyl]-N-methylpyridazin-3-amine
CID 71928443

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The IUPAC name of N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine (CID 96998278) is N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine is CN(C[C@@H]1CN(CCn2cncn2)CCO1)c1cccnn1.
What is the InChIKey of N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
The InChIKey is MHNJSGDTIZDHNC-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21N7O/c1-19(14-3-2-4-16-18-14)9-13-10-20(7-8-22-13)5-6-21-12-15-11-17-21/h2-4,11-13H,5-10H2,1H3/t13-/m1/s1.
What are the key properties of N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine?
N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine has a molecular weight of 303.37 g/mol, XLogP of -0.09, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-4-[2-(1,2,4-triazol-1-yl)ethyl]morpholin-2-yl]methyl]pyridazin-3-amine is sourced from PubChem (CID 96998278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).