3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole

C14H20N6 — CID 146511974

IUPAC3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C2CC2Cc2nc(C3CC3)n(C)n2)nn1C
InChIInChI=1S/C14H20N6/c1-8-15-13(18-19(8)2)11-6-10(11)7-12-16-14(9-4-5-9)20(3)17-12/h9-11H,4-7H2,1-3H3
InChIKeyNMFSVUBMJKHHTB-UHFFFAOYSA-N
MW272.36 g/mol
LogP1.48
Rot. Bonds4

About 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole

3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole (PubChem CID 146511974) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole
PubChem CID146511974
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole
SMILESCc1nc(C2CC2Cc2nc(C3CC3)n(C)n2)nn1C
InChIInChI=1S/C14H20N6/c1-8-15-13(18-19(8)2)11-6-10(11)7-12-16-14(9-4-5-9)20(3)17-12/h9-11H,4-7H2,1-3H3
InChIKeyNMFSVUBMJKHHTB-UHFFFAOYSA-N
XLogP1.48
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole?
The IUPAC name of 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole (CID 146511974) is 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole.
What is the SMILES notation for 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole?
The canonical SMILES for 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole is Cc1nc(C2CC2Cc2nc(C3CC3)n(C)n2)nn1C.
What is the InChIKey of 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole?
The InChIKey is NMFSVUBMJKHHTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6/c1-8-15-13(18-19(8)2)11-6-10(11)7-12-16-14(9-4-5-9)20(3)17-12/h9-11H,4-7H2,1-3H3.
What are the key properties of 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole?
3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole has a molecular weight of 272.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)methyl]cyclopropyl]-1,5-dimethyl-1,2,4-triazole is sourced from PubChem (CID 146511974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).