methane;5-propan-2-yl-1H-1,2,4-triazole

C6H13N3 — CID 158048677

IUPACmethane;5-propan-2-yl-1H-1,2,4-triazole
SMILESC.CC(C)c1ncn[nH]1
InChIInChI=1S/C5H9N3.CH4/c1-4(2)5-6-3-7-8-5;/h3-4H,1-2H3,(H,6,7,8);1H4
InChIKeyFJFGTCRBMBJMLU-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.56
Rot. Bonds1

About methane;5-propan-2-yl-1H-1,2,4-triazole

methane;5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 158048677) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is methane;5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Namemethane;5-propan-2-yl-1H-1,2,4-triazole
PubChem CID158048677
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Namemethane;5-propan-2-yl-1H-1,2,4-triazole
SMILESC.CC(C)c1ncn[nH]1
InChIInChI=1S/C5H9N3.CH4/c1-4(2)5-6-3-7-8-5;/h3-4H,1-2H3,(H,6,7,8);1H4
InChIKeyFJFGTCRBMBJMLU-UHFFFAOYSA-N
XLogP1.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
1-(1H-1,2,4-triazol-5-yl)propane-1,2-diol
CID 67570980
2-[1-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 106282694
2-(1H-1,2,4-triazol-5-yl)propanal
CID 23285057
5-[1-(2-propan-2-yl-1H-imidazol-5-yl)propan-2-yl]-1H-1,2,4-triazole
CID 174154504
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 89012683
5-hexan-2-yl-1H-1,2,4-triazole
CID 122599049
[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450
5-(1-chloropropyl)-1H-1,2,4-triazole
CID 67571292
(1S)-1-(1H-1,2,4-triazol-5-yl)propan-1-ol
CID 124509417
3-(1H-1,2,4-triazol-5-yl)butanoic acid
CID 83389337
2-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 56973910

Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of methane;5-propan-2-yl-1H-1,2,4-triazole (CID 158048677) is methane;5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for methane;5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for methane;5-propan-2-yl-1H-1,2,4-triazole is C.CC(C)c1ncn[nH]1.
What is the InChIKey of methane;5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is FJFGTCRBMBJMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.CH4/c1-4(2)5-6-3-7-8-5;/h3-4H,1-2H3,(H,6,7,8);1H4.
What are the key properties of methane;5-propan-2-yl-1H-1,2,4-triazole?
methane;5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 127.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 158048677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).