3,5-dimethyl-1-propan-2-yl-1,2,4-triazole

C7H13N3 — CID 15644394

IUPAC3,5-dimethyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C)n(C(C)C)n1
InChIInChI=1S/C7H13N3/c1-5(2)10-7(4)8-6(3)9-10/h5H,1-4H3
InChIKeyMSPYOVQXUMTURS-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.48
Rot. Bonds1

About 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole

3,5-dimethyl-1-propan-2-yl-1,2,4-triazole (PubChem CID 15644394) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-1,2,4-triazole
PubChem CID15644394
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name3,5-dimethyl-1-propan-2-yl-1,2,4-triazole
SMILESCc1nc(C)n(C(C)C)n1
InChIInChI=1S/C7H13N3/c1-5(2)10-7(4)8-6(3)9-10/h5H,1-4H3
InChIKeyMSPYOVQXUMTURS-UHFFFAOYSA-N
XLogP1.48
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl-1H-1,2,4-triazol-3-amine
CID 307976
dimethyl-1H-1,2,4-triazole-5-carbonitrile
CID 82650970
5-Chloro-1,3-dimethyl-1H-1,2,4-triazole
CID 143397
1-Ethenyl-3,5-dimethyl-1H-1,2,4-triazole
CID 15696005
1,3-dimethyl-1H-1,2,4-triazol-5-amine
CID 307975
3-bromo-1,5-dimethyl-1H-1,2,4-triazole
CID 143394
1H-1,2,4-Triazole, 5-bromo-1,3-dimethyl-
CID 143396
4-ethyl-3-methyl-4H-1,2,4-triazole
CID 12278549
1-Isopropyl-5-methyl-1H-1,2,4-triazol-3-amine
CID 28064235
3-methyl-4-propyl-4H-1,2,4-triazole
CID 53870217
1,3-Dimethyl-1,2,4-triazole
CID 307977
N,N,3,5-tetramethyl-1,2,4-triazol-4-amine
CID 3419382

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole (CID 15644394) is 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole is Cc1nc(C)n(C(C)C)n1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole?
The InChIKey is MSPYOVQXUMTURS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-5(2)10-7(4)8-6(3)9-10/h5H,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole?
3,5-dimethyl-1-propan-2-yl-1,2,4-triazole has a molecular weight of 139.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 15644394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).