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

C15H25N5 — CID 66404135

IUPACN-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)Cn1ncnc1Cn1ccc(CNC(C)C)c1
InChIInChI=1S/C15H25N5/c1-12(2)8-20-15(17-11-18-20)10-19-6-5-14(9-19)7-16-13(3)4/h5-6,9,11-13,16H,7-8,10H2,1-4H3
InChIKeyOYFIBASLIJIMPN-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.28
Rot. Bonds7

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

N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine (PubChem CID 66404135) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine
PubChem CID66404135
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC NameN-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine
SMILESCC(C)Cn1ncnc1Cn1ccc(CNC(C)C)c1
InChIInChI=1S/C15H25N5/c1-12(2)8-20-15(17-11-18-20)10-19-6-5-14(9-19)7-16-13(3)4/h5-6,9,11-13,16H,7-8,10H2,1-4H3
InChIKeyOYFIBASLIJIMPN-UHFFFAOYSA-N
XLogP2.28
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine (CID 66404135) is N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine is CC(C)Cn1ncnc1Cn1ccc(CNC(C)C)c1.
What is the InChIKey of N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine?
The InChIKey is OYFIBASLIJIMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5/c1-12(2)8-20-15(17-11-18-20)10-19-6-5-14(9-19)7-16-13(3)4/h5-6,9,11-13,16H,7-8,10H2,1-4H3.
What are the key properties of N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine?
N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66404135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).