2-methylbutane;1H-1,2,4-triazole

C7H15N3 — CID 161155830

IUPAC2-methylbutane;1H-1,2,4-triazole
SMILESCCC(C)C.c1nc[nH]n1
InChIInChI=1S/C5H12.C2H3N3/c1-4-5(2)3;1-3-2-5-4-1/h5H,4H2,1-3H3;1-2H,(H,3,4,5)
InChIKeyUPGWZXHNCCGIQV-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.86
Rot. Bonds1

About 2-methylbutane;1H-1,2,4-triazole

2-methylbutane;1H-1,2,4-triazole (PubChem CID 161155830) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-methylbutane;1H-1,2,4-triazole.

Molecular Properties

Compound Name2-methylbutane;1H-1,2,4-triazole
PubChem CID161155830
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-methylbutane;1H-1,2,4-triazole
SMILESCCC(C)C.c1nc[nH]n1
InChIInChI=1S/C5H12.C2H3N3/c1-4-5(2)3;1-3-2-5-4-1/h5H,4H2,1-3H3;1-2H,(H,3,4,5)
InChIKeyUPGWZXHNCCGIQV-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylbutane;1H-1,2,4-triazole?
The IUPAC name of 2-methylbutane;1H-1,2,4-triazole (CID 161155830) is 2-methylbutane;1H-1,2,4-triazole.
What is the SMILES notation for 2-methylbutane;1H-1,2,4-triazole?
The canonical SMILES for 2-methylbutane;1H-1,2,4-triazole is CCC(C)C.c1nc[nH]n1.
What is the InChIKey of 2-methylbutane;1H-1,2,4-triazole?
The InChIKey is UPGWZXHNCCGIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C2H3N3/c1-4-5(2)3;1-3-2-5-4-1/h5H,4H2,1-3H3;1-2H,(H,3,4,5).
What are the key properties of 2-methylbutane;1H-1,2,4-triazole?
2-methylbutane;1H-1,2,4-triazole has a molecular weight of 141.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutane;1H-1,2,4-triazole is sourced from PubChem (CID 161155830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).