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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Related Compounds

N-methyl-N-[(E)-1H-1,2,4-triazol-5-yldiazenyl]methanamine
CID 135443564
2-tert-butyl-1H-1,2,4-triazol-2-ium
CID 498454
N-Isobutyl-4H-1,2,4-triazol-4-amine
CID 3539625
4-tert-butyl-1H-1,2,4-triazol-4-ium
CID 5255965
tritert-butyl(1H-1,2,4-triazol-5-yl)stannane
CID 21502782
tri(butan-2-yl)-(1H-1,2,4-triazol-5-yl)stannane
CID 21502783
butan-1-amine;1H-1,2,4-triazole
CID 22361871
ethane;1H-1,2,4-triazole
CID 53710259
CID 68130785
CID 68130785
CID 68130943
CID 68130943
tri(propan-2-yl)-(1H-1,2,4-triazol-5-yl)stannane
CID 68131261
CID 68131816
CID 68131816

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).