3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole

C14H26N4 — CID 71048624

IUPAC3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole
SMILESCCC(CC1CCCN1)n1c(C)nnc1C(C)C
InChIInChI=1S/C14H26N4/c1-5-13(9-12-7-6-8-15-12)18-11(4)16-17-14(18)10(2)3/h10,12-13,15H,5-9H2,1-4H3
InChIKeyCQELVKIVBWITBJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.80
Rot. Bonds5

About 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole

3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole (PubChem CID 71048624) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole.

Molecular Properties

Compound Name3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole
PubChem CID71048624
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole
SMILESCCC(CC1CCCN1)n1c(C)nnc1C(C)C
InChIInChI=1S/C14H26N4/c1-5-13(9-12-7-6-8-15-12)18-11(4)16-17-14(18)10(2)3/h10,12-13,15H,5-9H2,1-4H3
InChIKeyCQELVKIVBWITBJ-UHFFFAOYSA-N
XLogP2.80
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-methylpropyl)pyrrolidine;molecular hydrogen
CID 142042486
1-ethyl-N-(1-pyrrolidin-2-ylpropan-2-yl)pyrazol-4-amine
CID 79540648
acetic acid;2-(2-methylpropyl)pyrrolidine
CID 178163364
ethane;1-pyrrolidin-2-ylpropan-2-ol
CID 145416338
3-methyl-1-pyrrolidin-2-ylbutan-2-ol
CID 105430823
2-methyl-5-(1-pyrrolidin-2-ylpropan-2-yl)pyridine
CID 83908692
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
3,4-dimethyl-5-[[(2S)-pyrrolidin-2-yl]methylsulfanyl]-1,2,4-triazole
CID 102820369
(2S)-3-methyl-1-[(2R)-pyrrolidin-2-yl]butan-2-amine
CID 59058691
1-methyl-5-(1-pyrrolidin-2-ylpropan-2-yl)pyrazole
CID 112715167
4-cyclohexyl-3-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-triazole
CID 61370950
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole?
The IUPAC name of 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole (CID 71048624) is 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole.
What is the SMILES notation for 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole?
The canonical SMILES for 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole is CCC(CC1CCCN1)n1c(C)nnc1C(C)C.
What is the InChIKey of 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole?
The InChIKey is CQELVKIVBWITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-13(9-12-7-6-8-15-12)18-11(4)16-17-14(18)10(2)3/h10,12-13,15H,5-9H2,1-4H3.
What are the key properties of 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole?
3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole has a molecular weight of 250.39 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-propan-2-yl-4-(1-pyrrolidin-2-ylbutan-2-yl)-1,2,4-triazole is sourced from PubChem (CID 71048624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).