4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol

C8H8ClN5O — CID 106500941

IUPAC4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol
SMILESNc1nnc(-c2cc(O)ccc2Cl)n1N
InChIInChI=1S/C8H8ClN5O/c9-6-2-1-4(15)3-5(6)7-12-13-8(10)14(7)11/h1-3,15H,11H2,(H2,10,13)
InChIKeyZWIUNHBNBGXQSA-UHFFFAOYSA-N
MW225.64 g/mol
LogP0.60
Rot. Bonds1

About 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol

4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol (PubChem CID 106500941) has the molecular formula C8H8ClN5O and a molecular weight of 225.64 g/mol. Its IUPAC name is 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol.

Molecular Properties

Compound Name4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol
PubChem CID106500941
Molecular FormulaC8H8ClN5O
Molecular Weight225.64 g/mol
Exact Mass225.04
IUPAC Name4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol
SMILESNc1nnc(-c2cc(O)ccc2Cl)n1N
InChIInChI=1S/C8H8ClN5O/c9-6-2-1-4(15)3-5(6)7-12-13-8(10)14(7)11/h1-3,15H,11H2,(H2,10,13)
InChIKeyZWIUNHBNBGXQSA-UHFFFAOYSA-N
XLogP0.60
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-chloro-2-methylphenyl)-1,2,4-triazole-3,4-diamine
CID 107096246
3-(6-amino-3-pyridinyl)-4-chlorophenol
CID 56777458
2-amino-4-(4,5-diamino-1,2,4-triazol-3-yl)phenol
CID 136872415
4-chloro-3-pyridin-4-ylphenol
CID 46316948
bis(3,4-dichlorophenol);zirconium
CID 161397670
4-chloro-3-(6-methyl-3-pyridinyl)phenol
CID 175413661
(2R)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7915695
2-[[5-(2-chloro-5-hydroxyphenyl)-4-propyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 106502417
4-tert-butyl-3-(2-chloro-5-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
CID 106502410
2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone
CID 7582582
(2R)-2-[[4-amino-5-(2,5-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-carbamoyl-3-methylbutanamide
CID 7915698
3-(2,5-dichlorophenyl)-5-(2-methylpropylsulfanyl)-1,2,4-triazol-4-amine
CID 7570021

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
The IUPAC name of 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol (CID 106500941) is 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol.
What is the SMILES notation for 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
The canonical SMILES for 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol is Nc1nnc(-c2cc(O)ccc2Cl)n1N.
What is the InChIKey of 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
The InChIKey is ZWIUNHBNBGXQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5O/c9-6-2-1-4(15)3-5(6)7-12-13-8(10)14(7)11/h1-3,15H,11H2,(H2,10,13).
What are the key properties of 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol?
4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol has a molecular weight of 225.64 g/mol, XLogP of 0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4,5-diamino-1,2,4-triazol-3-yl)phenol is sourced from PubChem (CID 106500941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).