1H-indazole;pyrido[3,4-d]pyrimidin-4-amine

C14H12N6 — CID 173270330

IUPAC1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2cnccc12.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N4.C7H6N2/c8-7-5-1-2-9-3-6(5)10-4-11-7;1-2-4-7-6(3-1)5-8-9-7/h1-4H,(H2,8,10,11);1-5H,(H,8,9)
InChIKeyXALMERBESTVQCE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.17
Rot. Bonds

About 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine

1H-indazole;pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 173270330) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
PubChem CID173270330
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name1H-indazole;pyrido[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2cnccc12.c1ccc2[nH]ncc2c1
InChIInChI=1S/C7H6N4.C7H6N2/c8-7-5-1-2-9-3-6(5)10-4-11-7;1-2-4-7-6(3-1)5-8-9-7/h1-4H,(H2,8,10,11);1-5H,(H,8,9)
InChIKeyXALMERBESTVQCE-UHFFFAOYSA-N
XLogP2.17
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine (CID 173270330) is 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine is Nc1ncnc2cnccc12.c1ccc2[nH]ncc2c1.
What is the InChIKey of 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is XALMERBESTVQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4.C7H6N2/c8-7-5-1-2-9-3-6(5)10-4-11-7;1-2-4-7-6(3-1)5-8-9-7/h1-4H,(H2,8,10,11);1-5H,(H,8,9).
What are the key properties of 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine?
1H-indazole;pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 264.29 g/mol, XLogP of 2.17, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazole;pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 173270330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).