Fazarabine

C8H12N4O5 — CID 47751

IUPAC4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
SMILESC1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N
InChIInChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m1/s1
InChIKeyNMUSYJAQQFHJEW-ARQDHWQXSA-N
MW244.20 g/mol
LogP-2.20
Rot. Bonds2

About Fazarabine

Fazarabine (PubChem CID 47751) has the molecular formula C8H12N4O5 and a molecular weight of 244.20 g/mol. Its IUPAC name is 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one.

Molecular Properties

Compound NameFazarabine
PubChem CID47751
Molecular FormulaC8H12N4O5
Molecular Weight244.20 g/mol
Exact Mass244.08
IUPAC Name4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one
SMILESC1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N
InChIInChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m1/s1
InChIKeyNMUSYJAQQFHJEW-ARQDHWQXSA-N
XLogP-2.20
TPSA141.00 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity384

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze Fazarabine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Azacytidine
CID 9444
5-Aza-2'-deoxycytidine
CID 451668
4-Amino-1-pentofuranosyl-1,3,5-triazin-2(1H)-one
CID 1805
1-(2-Deoxy-a-D-ribofuranosyl)-5-azacytosine
CID 16886
5,6-Dihydro-5-azacytidine hydrochloride
CID 151716
Dihydro-5-azacytidine
CID 99681
NSC 26480 (5,6-dihydro-5-azacytidine)
CID 5351280
Kp-1212
CID 9859433
Dhac
CID 319859
4-amino-1-[(2R,4R,5R)-3,3-difluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
CID 66944285
4-amino-1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,3,5-triazin-2-one
CID 460485
Azacytidine-5
CID 23760137

Frequently Asked Questions

What is the IUPAC name of Fazarabine?
The IUPAC name of Fazarabine (CID 47751) is 4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,3,5-triazin-2-one.
What is the SMILES notation for Fazarabine?
The canonical SMILES for Fazarabine is C1=NC(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)N.
What is the InChIKey of Fazarabine?
The InChIKey is NMUSYJAQQFHJEW-ARQDHWQXSA-N. The full InChI is InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5+,6-/m1/s1.
What are the key properties of Fazarabine?
Fazarabine has a molecular weight of 244.20 g/mol, XLogP of -2.20, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Fazarabine is sourced from PubChem (CID 47751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).