N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine

C14H23N5 — CID 66404388

IUPACN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(Cn2ccc(CNCC(C)C)c2)n1C
InChIInChI=1S/C14H23N5/c1-11(2)7-15-8-13-5-6-19(9-13)10-14-17-16-12(3)18(14)4/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyCJPVBMIVSDPMOM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.72
Rot. Bonds6

About N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine

N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66404388) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID66404388
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine
SMILESCc1nnc(Cn2ccc(CNCC(C)C)c2)n1C
InChIInChI=1S/C14H23N5/c1-11(2)7-15-8-13-5-6-19(9-13)10-14-17-16-12(3)18(14)4/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyCJPVBMIVSDPMOM-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine (CID 66404388) is N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine is Cc1nnc(Cn2ccc(CNCC(C)C)c2)n1C.
What is the InChIKey of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CJPVBMIVSDPMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-11(2)7-15-8-13-5-6-19(9-13)10-14-17-16-12(3)18(14)4/h5-6,9,11,15H,7-8,10H2,1-4H3.
What are the key properties of N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine?
N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66404388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).