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

C14H23N5 — CID 79102342

IUPACN-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1ncnn1CC(C)C
InChIInChI=1S/C14H23N5/c1-11(2)8-19-14(16-10-17-19)9-18-7-5-6-13(18)12(3)15-4/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyXINZXPKQRVJLPL-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.06
Rot. Bonds6

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

N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine (PubChem CID 79102342) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine
PubChem CID79102342
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine
SMILESCNC(C)c1cccn1Cc1ncnn1CC(C)C
InChIInChI=1S/C14H23N5/c1-11(2)8-19-14(16-10-17-19)9-18-7-5-6-13(18)12(3)15-4/h5-7,10-12,15H,8-9H2,1-4H3
InChIKeyXINZXPKQRVJLPL-UHFFFAOYSA-N
XLogP2.06
TPSA47.67 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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine (CID 79102342) is N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine is CNC(C)c1cccn1Cc1ncnn1CC(C)C.
What is the InChIKey of N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine?
The InChIKey is XINZXPKQRVJLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)8-19-14(16-10-17-19)9-18-7-5-6-13(18)12(3)15-4/h5-7,10-12,15H,8-9H2,1-4H3.
What are the key properties of N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine?
N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine has a molecular weight of 261.37 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]pyrrol-2-yl]ethanamine is sourced from PubChem (CID 79102342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).