3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol

C9H13N7O — CID 80772756

IUPAC3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESNc1nc(NCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C9H13N7O/c10-7-13-8(12-2-1-5-17)15-9(14-7)16-4-3-11-6-16/h3-4,6,17H,1-2,5H2,(H3,10,12,13,14,15)
InChIKeyKWQTZJFZQYHFLK-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.57
Rot. Bonds5

About 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol

3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (PubChem CID 80772756) has the molecular formula C9H13N7O and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
PubChem CID80772756
Molecular FormulaC9H13N7O
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
SMILESNc1nc(NCCCO)nc(-n2ccnc2)n1
InChIInChI=1S/C9H13N7O/c10-7-13-8(12-2-1-5-17)15-9(14-7)16-4-3-11-6-16/h3-4,6,17H,1-2,5H2,(H3,10,12,13,14,15)
InChIKeyKWQTZJFZQYHFLK-UHFFFAOYSA-N
XLogP-0.57
TPSA114.77 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol with MolForge

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Related Compounds

3-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 80944977
2-N-[2-(dimethylamino)ethyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770284
5-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324013
methyl 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propanoate
CID 80798771
N-[2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]ethyl]methanesulfonamide
CID 80787090
6-imidazol-1-yl-2-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80846392
6-imidazol-1-yl-2-N-[2-(2-methoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80813959
2-N-(2-cyclopentyloxyethyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80818639
6-imidazol-1-yl-2-N-(pyridin-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80773392
6-imidazol-1-yl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80791101
6-imidazol-1-yl-2-N-(pyridin-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80776963
2-N-[(2-fluorophenyl)methyl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80773000

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The IUPAC name of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol (CID 80772756) is 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol is Nc1nc(NCCCO)nc(-n2ccnc2)n1.
What is the InChIKey of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
The InChIKey is KWQTZJFZQYHFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O/c10-7-13-8(12-2-1-5-17)15-9(14-7)16-4-3-11-6-16/h3-4,6,17H,1-2,5H2,(H3,10,12,13,14,15).
What are the key properties of 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol?
3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol has a molecular weight of 235.25 g/mol, XLogP of -0.57, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]propan-1-ol is sourced from PubChem (CID 80772756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).