2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine

C9H12N8 — CID 172601388

IUPAC2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCCCCNc1ncnc2cn(N=[N+]=[N-])nc12
InChIInChI=1S/C9H12N8/c1-2-3-4-11-9-8-7(12-6-13-9)5-17(14-8)16-15-10/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyDIXAZNAASZBMGP-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.11
Rot. Bonds5

About 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine

2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 172601388) has the molecular formula C9H12N8 and a molecular weight of 232.25 g/mol. Its IUPAC name is 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID172601388
Molecular FormulaC9H12N8
Molecular Weight232.25 g/mol
Exact Mass232.12
IUPAC Name2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESCCCCNc1ncnc2cn(N=[N+]=[N-])nc12
InChIInChI=1S/C9H12N8/c1-2-3-4-11-9-8-7(12-6-13-9)5-17(14-8)16-15-10/h5-6H,2-4H2,1H3,(H,11,12,13)
InChIKeyDIXAZNAASZBMGP-UHFFFAOYSA-N
XLogP2.11
TPSA104.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

9-cyclopentyl-N-pentylpurin-6-amine
CID 142647479
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
N-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
CID 175603327
N-butyl-7H-purin-6-amine;ethane
CID 154667457
4-N-hexyl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80836424
4-(butylamino)quinazoline-7-carboxylic acid
CID 2061676
5-methyl-N-pentylquinazolin-4-amine
CID 25175828
N-butyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430104
9-[(2R,5R)-5-ethyl-4-methyloxolan-2-yl]-N-heptylpurin-6-amine
CID 58855570
3-N-butyl-1-methylpyrazole-3,4-diamine
CID 90481031
6-N-ethyl-5-methyl-4-N-octylpyrimidine-4,6-diamine
CID 115565379
N-butyl-5-iodopyrimidin-4-amine
CID 65418648

Frequently Asked Questions

What is the IUPAC name of 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine (CID 172601388) is 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine is CCCCNc1ncnc2cn(N=[N+]=[N-])nc12.
What is the InChIKey of 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is DIXAZNAASZBMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N8/c1-2-3-4-11-9-8-7(12-6-13-9)5-17(14-8)16-15-10/h5-6H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine?
2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 232.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-butylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 172601388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).