5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole

C14H26N4 — CID 66465162

IUPAC5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC1(C(C)(C)C)CCCN1
InChIInChI=1S/C14H26N4/c1-5-9-18-12(15-11-17-18)10-14(13(2,3)4)7-6-8-16-14/h11,16H,5-10H2,1-4H3
InChIKeyDRFMVWBPXJEOAH-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.40
Rot. Bonds4

About 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole

5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole (PubChem CID 66465162) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole.

Molecular Properties

Compound Name5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
PubChem CID66465162
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole
SMILESCCCn1ncnc1CC1(C(C)(C)C)CCCN1
InChIInChI=1S/C14H26N4/c1-5-9-18-12(15-11-17-18)10-14(13(2,3)4)7-6-8-16-14/h11,16H,5-10H2,1-4H3
InChIKeyDRFMVWBPXJEOAH-UHFFFAOYSA-N
XLogP2.40
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole?
The IUPAC name of 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole (CID 66465162) is 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole.
What is the SMILES notation for 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole?
The canonical SMILES for 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole is CCCn1ncnc1CC1(C(C)(C)C)CCCN1.
What is the InChIKey of 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole?
The InChIKey is DRFMVWBPXJEOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-5-9-18-12(15-11-17-18)10-14(13(2,3)4)7-6-8-16-14/h11,16H,5-10H2,1-4H3.
What are the key properties of 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole?
5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole has a molecular weight of 250.39 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-propyl-1,2,4-triazole is sourced from PubChem (CID 66465162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).