N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

C14H21N5 — CID 83208353

IUPACN-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(Cc3nncn3C)cc21
InChIInChI=1S/C14H21N5/c1-15-13-6-4-3-5-11-7-19(8-12(11)13)9-14-17-16-10-18(14)2/h7-8,10,13,15H,3-6,9H2,1-2H3
InChIKeyOHRIWKGRJGRALE-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.65
Rot. Bonds3

About N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine

N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (PubChem CID 83208353) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.

Molecular Properties

Compound NameN-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
PubChem CID83208353
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
SMILESCNC1CCCCc2cn(Cc3nncn3C)cc21
InChIInChI=1S/C14H21N5/c1-15-13-6-4-3-5-11-7-19(8-12(11)13)9-14-17-16-10-18(14)2/h7-8,10,13,15H,3-6,9H2,1-2H3
InChIKeyOHRIWKGRJGRALE-UHFFFAOYSA-N
XLogP1.65
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-ol
CID 83207793
2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213381
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208070
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213481
2-ethyl-N-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208813
N-methyl-2-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208066
N-methyl-2-[(3-propylimidazol-4-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83210929
N-methyl-2-(pyrimidin-2-ylmethyl)-4,5,6,7-tetrahydroisoindol-4-amine
CID 83212983
4-[[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]methyl]benzonitrile
CID 83211319
5-[4-(methylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-2-yl]pentanenitrile
CID 83207690
2-ethyl-N-methyl-4,5,6,7-tetrahydroisoindol-4-amine
CID 83213062
N-methyl-2-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine
CID 83208461

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The IUPAC name of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine (CID 83208353) is N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine.
What is the SMILES notation for N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The canonical SMILES for N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is CNC1CCCCc2cn(Cc3nncn3C)cc21.
What is the InChIKey of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
The InChIKey is OHRIWKGRJGRALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-15-13-6-4-3-5-11-7-19(8-12(11)13)9-14-17-16-10-18(14)2/h7-8,10,13,15H,3-6,9H2,1-2H3.
What are the key properties of N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine?
N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine has a molecular weight of 259.36 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrrol-4-amine is sourced from PubChem (CID 83208353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).