N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine

C14H21N5 — CID 107045583

IUPACN-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(Cc2cn(C)nn2)c1)C1CC1
InChIInChI=1S/C14H21N5/c1-3-15-14(11-4-5-11)12-6-7-19(8-12)10-13-9-18(2)17-16-13/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyHYAWNMWQNBEKRB-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.73
Rot. Bonds6

About N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine

N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine (PubChem CID 107045583) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
PubChem CID107045583
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine
SMILESCCNC(c1ccn(Cc2cn(C)nn2)c1)C1CC1
InChIInChI=1S/C14H21N5/c1-3-15-14(11-4-5-11)12-6-7-19(8-12)10-13-9-18(2)17-16-13/h6-9,11,14-15H,3-5,10H2,1-2H3
InChIKeyHYAWNMWQNBEKRB-UHFFFAOYSA-N
XLogP1.73
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]propan-1-amine
CID 107045562
N-[cyclopropyl-[1-[(3,4-dichlorophenyl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79098339
N-[cyclopropyl-[1-(2-pyridin-2-ylethyl)pyrrol-3-yl]methyl]ethanamine
CID 79103588
N-[cyclopropyl-[1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methyl]ethanamine
CID 79103325
N-[cyclopropyl-[1-(2-methylpentyl)pyrrol-3-yl]methyl]ethanamine
CID 79103410
1-[2-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]ethyl]pyridin-2-one
CID 82899373
4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]-N-methylbutanamide
CID 79104025
methyl 4-[3-[cyclopropyl(ethylamino)methyl]pyrrol-1-yl]butanoate
CID 79103936
N-[cyclopropyl-[1-[(1-methylimidazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79103691
N-[cyclopropyl-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrol-3-yl]methyl]propan-1-amine
CID 79099232
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
1-cyclopropyl-N-methyl-1-[1-(pyrimidin-2-ylmethyl)pyrrol-3-yl]methanamine
CID 79104183

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The IUPAC name of N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine (CID 107045583) is N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine is CCNC(c1ccn(Cc2cn(C)nn2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
The InChIKey is HYAWNMWQNBEKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-3-15-14(11-4-5-11)12-6-7-19(8-12)10-13-9-18(2)17-16-13/h6-9,11,14-15H,3-5,10H2,1-2H3.
What are the key properties of N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine?
N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-[1-[(1-methyltriazol-4-yl)methyl]pyrrol-3-yl]methyl]ethanamine is sourced from PubChem (CID 107045583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).