N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline

C14H18N4 — CID 138810130

IUPACN-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline
SMILESCC1CCn2c(CCNc3ccccc3)nnc21
InChIInChI=1S/C14H18N4/c1-11-8-10-18-13(16-17-14(11)18)7-9-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeySCUUTYDTEJSRPY-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.44
Rot. Bonds4

About N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline

N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline (PubChem CID 138810130) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline.

Molecular Properties

Compound NameN-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline
PubChem CID138810130
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline
SMILESCC1CCn2c(CCNc3ccccc3)nnc21
InChIInChI=1S/C14H18N4/c1-11-8-10-18-13(16-17-14(11)18)7-9-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeySCUUTYDTEJSRPY-UHFFFAOYSA-N
XLogP2.44
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline?
The IUPAC name of N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline (CID 138810130) is N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline.
What is the SMILES notation for N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline?
The canonical SMILES for N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline is CC1CCn2c(CCNc3ccccc3)nnc21.
What is the InChIKey of N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline?
The InChIKey is SCUUTYDTEJSRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-8-10-18-13(16-17-14(11)18)7-9-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3.
What are the key properties of N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline?
N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline has a molecular weight of 242.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]aniline is sourced from PubChem (CID 138810130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).