8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

C6H8N6O2 — CID 91564913

IUPAC8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCn1nnc2c(C(N)O)ncn2c1=O
InChIInChI=1S/C6H8N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2,4,13H,7H2,1H3
InChIKeyBNLDPKUUYRNURL-UHFFFAOYSA-N
MW196.17 g/mol
LogP-2.23
Rot. Bonds1

About 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one

8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (PubChem CID 91564913) has the molecular formula C6H8N6O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.

Molecular Properties

Compound Name8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
PubChem CID91564913
Molecular FormulaC6H8N6O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one
SMILESCn1nnc2c(C(N)O)ncn2c1=O
InChIInChI=1S/C6H8N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2,4,13H,7H2,1H3
InChIKeyBNLDPKUUYRNURL-UHFFFAOYSA-N
XLogP-2.23
TPSA111.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 5-2.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The IUPAC name of 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one (CID 91564913) is 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one.
What is the SMILES notation for 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The canonical SMILES for 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is Cn1nnc2c(C(N)O)ncn2c1=O.
What is the InChIKey of 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
The InChIKey is BNLDPKUUYRNURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2/c1-11-6(14)12-2-8-3(4(7)13)5(12)9-10-11/h2,4,13H,7H2,1H3.
What are the key properties of 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one?
8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one has a molecular weight of 196.17 g/mol, XLogP of -2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[amino(hydroxy)methyl]-3-methylimidazo[5,1-d][1,2,3,5]tetrazin-4-one is sourced from PubChem (CID 91564913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).