1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine

C15H26N6O — CID 131915472

IUPAC1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
SMILESCOCCn1cnnc1CN(C)C(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H26N6O/c1-12-8-13(2)21(18-12)9-14(3)19(4)10-15-17-16-11-20(15)6-7-22-5/h8,11,14H,6-7,9-10H2,1-5H3
InChIKeyGHIJQTYILKNSBP-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.26
Rot. Bonds8

About 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine

1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 131915472) has the molecular formula C15H26N6O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID131915472
Molecular FormulaC15H26N6O
Molecular Weight306.41 g/mol
Exact Mass306.22
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine
SMILESCOCCn1cnnc1CN(C)C(C)Cn1nc(C)cc1C
InChIInChI=1S/C15H26N6O/c1-12-8-13(2)21(18-12)9-14(3)19(4)10-15-17-16-11-20(15)6-7-22-5/h8,11,14H,6-7,9-10H2,1-5H3
InChIKeyGHIJQTYILKNSBP-UHFFFAOYSA-N
XLogP1.26
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine with MolForge

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Related Compounds

3-ethyl-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393588
4-(2-methoxyethyl)-3-propyl-1,2,4-triazole
CID 115393557
3-(2-ethoxyethyl)-4-(2-methoxyethyl)-1,2,4-triazole
CID 115393769
4-(2-methoxyethyl)-3-pentyl-1,2,4-triazole
CID 115393653
2-imidazol-1-yl-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropanamide
CID 119066171
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methyl-1-(3-methylsulfanylphenyl)methanamine
CID 74243618
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3,3-trimethylcyclopentan-1-amine
CID 146042550
2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]-N-methylethanamine
CID 62711589
1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131923791
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 94028973
N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N,3-dimethyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 72908975
1-(2-ethoxyethyl)-3,5-dimethylpyrazole
CID 15154386

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine (CID 131915472) is 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine is COCCn1cnnc1CN(C)C(C)Cn1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is GHIJQTYILKNSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O/c1-12-8-13(2)21(18-12)9-14(3)19(4)10-15-17-16-11-20(15)6-7-22-5/h8,11,14H,6-7,9-10H2,1-5H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine?
1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 306.41 g/mol, XLogP of 1.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-N-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 131915472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).