1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine

C14H23N5 — CID 66404253

IUPAC1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine
SMILESCC(C)Cn1ncnc1Cn1cccc1CC(C)N
InChIInChI=1S/C14H23N5/c1-11(2)8-19-14(16-10-17-19)9-18-6-4-5-13(18)7-12(3)15/h4-6,10-12H,7-9,15H2,1-3H3
InChIKeySDAQCKAMMFIDLH-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.67
Rot. Bonds6

About 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine

1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine (PubChem CID 66404253) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine
PubChem CID66404253
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine
SMILESCC(C)Cn1ncnc1Cn1cccc1CC(C)N
InChIInChI=1S/C14H23N5/c1-11(2)8-19-14(16-10-17-19)9-18-6-4-5-13(18)7-12(3)15/h4-6,10-12H,7-9,15H2,1-3H3
InChIKeySDAQCKAMMFIDLH-UHFFFAOYSA-N
XLogP1.67
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine?
The IUPAC name of 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine (CID 66404253) is 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine.
What is the SMILES notation for 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine?
The canonical SMILES for 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine is CC(C)Cn1ncnc1Cn1cccc1CC(C)N.
What is the InChIKey of 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine?
The InChIKey is SDAQCKAMMFIDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)8-19-14(16-10-17-19)9-18-6-4-5-13(18)7-12(3)15/h4-6,10-12H,7-9,15H2,1-3H3.
What are the key properties of 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine?
1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]propan-2-amine is sourced from PubChem (CID 66404253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).