4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine

C11H10N6 — CID 135435459

IUPAC4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cn[nH]c2ncn1Nc1ccccc1
InChIInChI=1S/C11H10N6/c12-10-9-6-14-15-11(9)13-7-17(10)16-8-4-2-1-3-5-8/h1-7,12,16H,(H,14,15)/b12-10+
InChIKeyHNLVEJRDSKEDMD-ZRDIBKRKSA-N
MW226.24 g/mol
LogP1.11
Rot. Bonds2

About 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine

4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine (PubChem CID 135435459) has the molecular formula C11H10N6 and a molecular weight of 226.24 g/mol. Its IUPAC name is 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound Name4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine
PubChem CID135435459
Molecular FormulaC11H10N6
Molecular Weight226.24 g/mol
Exact Mass226.10
IUPAC Name4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine
SMILES[H]/N=c1\c2cn[nH]c2ncn1Nc1ccccc1
InChIInChI=1S/C11H10N6/c12-10-9-6-14-15-11(9)13-7-17(10)16-8-4-2-1-3-5-8/h1-7,12,16H,(H,14,15)/b12-10+
InChIKeyHNLVEJRDSKEDMD-ZRDIBKRKSA-N
XLogP1.11
TPSA82.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine (CID 135435459) is 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine is [H]/N=c1\c2cn[nH]c2ncn1Nc1ccccc1.
What is the InChIKey of 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is HNLVEJRDSKEDMD-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H10N6/c12-10-9-6-14-15-11(9)13-7-17(10)16-8-4-2-1-3-5-8/h1-7,12,16H,(H,14,15)/b12-10+.
What are the key properties of 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine?
4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 226.24 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N-phenyl-1H-pyrazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 135435459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).