1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole

C14H26N6O2 — CID 158771451

IUPAC1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole
SMILESCC(C)OCc1cn(C)nn1.CC(C)OCc1cnnn1C
InChIInChI=1S/2C7H13N3O/c1-6(2)11-5-7-4-10(3)9-8-7;1-6(2)11-5-7-4-8-9-10(7)3/h2*4,6H,5H2,1-3H3
InChIKeyIPXNWCLUNPHVFT-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.48
Rot. Bonds6

About 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole

1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole (PubChem CID 158771451) has the molecular formula C14H26N6O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole.

Molecular Properties

Compound Name1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole
PubChem CID158771451
Molecular FormulaC14H26N6O2
Molecular Weight310.40 g/mol
Exact Mass310.21
IUPAC Name1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole
SMILESCC(C)OCc1cn(C)nn1.CC(C)OCc1cnnn1C
InChIInChI=1S/2C7H13N3O/c1-6(2)11-5-7-4-10(3)9-8-7;1-6(2)11-5-7-4-8-9-10(7)3/h2*4,6H,5H2,1-3H3
InChIKeyIPXNWCLUNPHVFT-UHFFFAOYSA-N
XLogP1.48
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 174763188
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[1-(1-methyltriazol-4-yl)-3-propan-2-yloxypropan-2-yl]hydrazine
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4-(1-methyltriazol-4-yl)butan-2-amine
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4-[[5-(1-bromoethyl)triazol-1-yl]methyl]-1-methyltriazole
CID 130567324
(1-methyltriazol-4-yl)methyl acetate
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4-(2-(18F)fluoroethoxymethyl)-1-methyltriazole
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1-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]-4-(propan-2-yloxymethyl)triazole
CID 144977277
1-methyl-5-(propan-2-yloxymethyl)imidazole
CID 117192815
2-methyl-4-(1-methyltriazol-4-yl)butan-1-amine
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(3-methyltriazol-4-yl)methanol
CID 12654348

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole?
The IUPAC name of 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole (CID 158771451) is 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole.
What is the SMILES notation for 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole?
The canonical SMILES for 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole is CC(C)OCc1cn(C)nn1.CC(C)OCc1cnnn1C.
What is the InChIKey of 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole?
The InChIKey is IPXNWCLUNPHVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N3O/c1-6(2)11-5-7-4-10(3)9-8-7;1-6(2)11-5-7-4-8-9-10(7)3/h2*4,6H,5H2,1-3H3.
What are the key properties of 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole?
1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole has a molecular weight of 310.40 g/mol, XLogP of 1.48, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(propan-2-yloxymethyl)triazole;1-methyl-5-(propan-2-yloxymethyl)triazole is sourced from PubChem (CID 158771451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).