3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen

C8H17N3 — CID 154652840

IUPAC3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
SMILESCC(C)c1n[nH]c(C(C)C)n1.[H][H]
InChIInChI=1S/C8H15N3.H2/c1-5(2)7-9-8(6(3)4)11-10-7;/h5-6H,1-4H3,(H,9,10,11);1H
InChIKeyQLESLYMPCDEFRX-UHFFFAOYSA-N
MW155.25 g/mol
LogP2.30
Rot. Bonds2

About 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen

3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen (PubChem CID 154652840) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen.

Molecular Properties

Compound Name3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
PubChem CID154652840
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen
SMILESCC(C)c1n[nH]c(C(C)C)n1.[H][H]
InChIInChI=1S/C8H15N3.H2/c1-5(2)7-9-8(6(3)4)11-10-7;/h5-6H,1-4H3,(H,9,10,11);1H
InChIKeyQLESLYMPCDEFRX-UHFFFAOYSA-N
XLogP2.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-heptan-4-yl-3-propan-2-yl-1H-1,2,4-triazole
CID 82986844
1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 61337950
2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65222017
3-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)butan-1-amine
CID 80541678
ethane;5-ethyl-3-propan-2-yl-1H-1,2,4-triazole
CID 153344049
2-methoxy-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 106110810
3,5-bis[(1R)-1-chloroethyl]-1H-1,2,4-triazole
CID 98306481
2-propan-2-yl-5-[5-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)hexan-2-yl]-1,3,4-thiadiazole
CID 135137111
(S)-(4-chlorophenyl)-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287717
5-propan-2-yl-3-(trifluoromethyl)-1H-1,2,4-triazole
CID 59370368
2-[(1R)-1-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)ethyl]isoindole-1,3-dione
CID 97286906
2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;3,5-di(propan-2-yl)-1H-1,2,4-triazole;5-methyl-2,4-di(propan-2-yl)-1,3-oxazole
CID 159031549

Frequently Asked Questions

What is the IUPAC name of 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen?
The IUPAC name of 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen (CID 154652840) is 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen.
What is the SMILES notation for 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen?
The canonical SMILES for 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen is CC(C)c1n[nH]c(C(C)C)n1.[H][H].
What is the InChIKey of 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen?
The InChIKey is QLESLYMPCDEFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3.H2/c1-5(2)7-9-8(6(3)4)11-10-7;/h5-6H,1-4H3,(H,9,10,11);1H.
What are the key properties of 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen?
3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen has a molecular weight of 155.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(propan-2-yl)-1H-1,2,4-triazole;molecular hydrogen is sourced from PubChem (CID 154652840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).