1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole

C9H14N6 — CID 121225576

IUPAC1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole
SMILESCn1cc(CCCc2cn(C)nn2)nn1
InChIInChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3
InChIKeyNXBVOKRBXODKCH-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.12
Rot. Bonds4

About 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole

1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole (PubChem CID 121225576) has the molecular formula C9H14N6 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole.

Molecular Properties

Compound Name1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole
PubChem CID121225576
Molecular FormulaC9H14N6
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole
SMILESCn1cc(CCCc2cn(C)nn2)nn1
InChIInChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3
InChIKeyNXBVOKRBXODKCH-UHFFFAOYSA-N
XLogP0.12
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole?
The IUPAC name of 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole (CID 121225576) is 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole.
What is the SMILES notation for 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole?
The canonical SMILES for 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole is Cn1cc(CCCc2cn(C)nn2)nn1.
What is the InChIKey of 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole?
The InChIKey is NXBVOKRBXODKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6/c1-14-6-8(10-12-14)4-3-5-9-7-15(2)13-11-9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole?
1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole has a molecular weight of 206.25 g/mol, XLogP of 0.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(1-methyltriazol-4-yl)propyl]triazole is sourced from PubChem (CID 121225576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).