5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole

C8H12N6 — CID 169210024

IUPAC5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
SMILESCc1nc(CCCc2ncn[nH]2)n[nH]1
InChIInChI=1S/C8H12N6/c1-6-11-8(14-12-6)4-2-3-7-9-5-10-13-7/h5H,2-4H2,1H3,(H,9,10,13)(H,11,12,14)
InChIKeyQZSYUBWBADPMDJ-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.41
Rot. Bonds4

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

5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole (PubChem CID 169210024) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
PubChem CID169210024
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole
SMILESCc1nc(CCCc2ncn[nH]2)n[nH]1
InChIInChI=1S/C8H12N6/c1-6-11-8(14-12-6)4-2-3-7-9-5-10-13-7/h5H,2-4H2,1H3,(H,9,10,13)(H,11,12,14)
InChIKeyQZSYUBWBADPMDJ-UHFFFAOYSA-N
XLogP0.41
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210020
5-heptadecyl-1H-1,2,4-triazole
CID 558137
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547501
4-(5-methyl-1H-1,2,4-triazol-3-yl)butanoic acid
CID 61346351
3-(2-chloroethyl)-5-methyl-1H-1,2,4-triazole;hydrochloride
CID 146155711
3,4-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrrole-2,5-dione
CID 64531334
5-(3-aminoiodanuidylpropyl)-1H-1,2,4-triazole
CID 140766762
5-(2-methoxyethyl)-1H-1,2,4-triazole
CID 58490953
5-[5-ethyl-10-(1H-1,2,4-triazol-5-yl)decyl]-1H-1,2,4-triazole
CID 169210026
2-methyl-6-(1H-1,2,4-triazol-5-yl)hexan-3-one
CID 159797633
1-amino-3-ethyl-2-[3-(1H-1,2,4-triazol-5-yl)propyl]guanidine
CID 104886918
2-(2,6-dimethylphenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64547070

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole?
The IUPAC name of 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole (CID 169210024) is 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole is Cc1nc(CCCc2ncn[nH]2)n[nH]1.
What is the InChIKey of 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole?
The InChIKey is QZSYUBWBADPMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c1-6-11-8(14-12-6)4-2-3-7-9-5-10-13-7/h5H,2-4H2,1H3,(H,9,10,13)(H,11,12,14).
What are the key properties of 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole?
5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole has a molecular weight of 192.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazole is sourced from PubChem (CID 169210024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).