1-butan-2-yl-3,4-dimethyl-2H-triazole

C8H17N3 — CID 91535523

IUPAC1-butan-2-yl-3,4-dimethyl-2H-triazole
SMILESCCC(C)N1C=C(C)N(C)N1
InChIInChI=1S/C8H17N3/c1-5-7(2)11-6-8(3)10(4)9-11/h6-7,9H,5H2,1-4H3
InChIKeyMUVKHJAKXHDKOY-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.31
Rot. Bonds2

About 1-butan-2-yl-3,4-dimethyl-2H-triazole

1-butan-2-yl-3,4-dimethyl-2H-triazole (PubChem CID 91535523) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-butan-2-yl-3,4-dimethyl-2H-triazole.

Molecular Properties

Compound Name1-butan-2-yl-3,4-dimethyl-2H-triazole
PubChem CID91535523
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name1-butan-2-yl-3,4-dimethyl-2H-triazole
SMILESCCC(C)N1C=C(C)N(C)N1
InChIInChI=1S/C8H17N3/c1-5-7(2)11-6-8(3)10(4)9-11/h6-7,9H,5H2,1-4H3
InChIKeyMUVKHJAKXHDKOY-UHFFFAOYSA-N
XLogP1.31
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethenyl-1,4-dimethyl-2H-triazole
CID 22903109
1,3,4-trimethyl-2H-triazole
CID 90880461
1-Butan-2-yl-1,4-dimethyltriazol-1-ium
CID 91168052
4-ethyl-1,3-dimethyl-2H-triazole
CID 91607569
3,4-dimethyl-1-propan-2-yl-2H-triazole
CID 124201124
(Z)-1-[amino(2,2-dimethylpropyl)amino]prop-1-en-2-amine
CID 126542505
3,4-dimethyl-2H-triazol-1-amine
CID 126543924
1-Butan-2-yl-1-methyl-2-prop-1-en-2-ylhydrazine
CID 137394977
(Z)-1-[amino(propan-2-yl)amino]prop-1-en-2-amine;ethane
CID 143047363
(Z)-1-[amino(cyclopentyl)amino]prop-1-en-2-amine
CID 143056706
3,5-dimethyl-2H-triazol-1-amine
CID 144504609
(Z)-2-[amino(propan-2-yl)amino]prop-1-en-1-amine;ethane
CID 145068547

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3,4-dimethyl-2H-triazole?
The IUPAC name of 1-butan-2-yl-3,4-dimethyl-2H-triazole (CID 91535523) is 1-butan-2-yl-3,4-dimethyl-2H-triazole.
What is the SMILES notation for 1-butan-2-yl-3,4-dimethyl-2H-triazole?
The canonical SMILES for 1-butan-2-yl-3,4-dimethyl-2H-triazole is CCC(C)N1C=C(C)N(C)N1.
What is the InChIKey of 1-butan-2-yl-3,4-dimethyl-2H-triazole?
The InChIKey is MUVKHJAKXHDKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-7(2)11-6-8(3)10(4)9-11/h6-7,9H,5H2,1-4H3.
What are the key properties of 1-butan-2-yl-3,4-dimethyl-2H-triazole?
1-butan-2-yl-3,4-dimethyl-2H-triazole has a molecular weight of 155.24 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3,4-dimethyl-2H-triazole is sourced from PubChem (CID 91535523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).