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

C13H16N4O — CID 43142794

IUPAC4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nnc2n1CCC2
InChIInChI=1S/C13H16N4O/c14-11(8-9-3-5-10(18)6-4-9)13-16-15-12-2-1-7-17(12)13/h3-6,11,18H,1-2,7-8,14H2
InChIKeyVNIBPAJRUKZHON-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.17
Rot. Bonds3

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

4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol (PubChem CID 43142794) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol.

Molecular Properties

Compound Name4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol
PubChem CID43142794
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol
SMILESNC(Cc1ccc(O)cc1)c1nnc2n1CCC2
InChIInChI=1S/C13H16N4O/c14-11(8-9-3-5-10(18)6-4-9)13-16-15-12-2-1-7-17(12)13/h3-6,11,18H,1-2,7-8,14H2
InChIKeyVNIBPAJRUKZHON-UHFFFAOYSA-N
XLogP1.17
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol with MolForge

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Related Compounds

(1S)-2-phenyl-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 167802845
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)pentan-1-amine
CID 43470331
(2R)-2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)acetic acid
CID 95732357
phenyl(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)methanamine;2,2,2-trifluoroacetic acid
CID 167840757
4-[(2R)-2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 94552493
4-[2-amino-2-(4-methyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 62694256
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2,2-dimethylpropan-1-amine
CID 43470330
4-[(2S)-2-amino-2-(5-methyl-4-propyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905977
2-amino-N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]propanamide
CID 43698134
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(4-ethylphenyl)ethanamine
CID 43748123
4-[[[(1R)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]carbamoylamino]methyl]benzoic acid
CID 122000917
4-[(2R)-2-amino-2-(4-phenyl-1,2,4-triazol-3-yl)ethyl]phenol
CID 104905997

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol?
The IUPAC name of 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol (CID 43142794) is 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol.
What is the SMILES notation for 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol?
The canonical SMILES for 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol is NC(Cc1ccc(O)cc1)c1nnc2n1CCC2.
What is the InChIKey of 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol?
The InChIKey is VNIBPAJRUKZHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-11(8-9-3-5-10(18)6-4-9)13-16-15-12-2-1-7-17(12)13/h3-6,11,18H,1-2,7-8,14H2.
What are the key properties of 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol?
4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol has a molecular weight of 244.30 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-2-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]phenol is sourced from PubChem (CID 43142794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).