(3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone

C10H8N6O — CID 110485411

IUPAC(3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone
SMILESNc1ncn(C(=O)c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C10H8N6O/c11-10-12-5-16(15-10)9(17)6-1-2-7-4-13-14-8(7)3-6/h1-5H,(H2,11,15)(H,13,14)
InChIKeyPEMKCWDYHMCIOW-UHFFFAOYSA-N
MW228.22 g/mol
LogP0.43
Rot. Bonds1

About (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone

(3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone (PubChem CID 110485411) has the molecular formula C10H8N6O and a molecular weight of 228.22 g/mol. Its IUPAC name is (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name(3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone
PubChem CID110485411
Molecular FormulaC10H8N6O
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name(3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone
SMILESNc1ncn(C(=O)c2ccc3cn[nH]c3c2)n1
InChIInChI=1S/C10H8N6O/c11-10-12-5-16(15-10)9(17)6-1-2-7-4-13-14-8(7)3-6/h1-5H,(H2,11,15)(H,13,14)
InChIKeyPEMKCWDYHMCIOW-UHFFFAOYSA-N
XLogP0.43
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone?
The IUPAC name of (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone (CID 110485411) is (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone.
What is the SMILES notation for (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone?
The canonical SMILES for (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone is Nc1ncn(C(=O)c2ccc3cn[nH]c3c2)n1.
What is the InChIKey of (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone?
The InChIKey is PEMKCWDYHMCIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N6O/c11-10-12-5-16(15-10)9(17)6-1-2-7-4-13-14-8(7)3-6/h1-5H,(H2,11,15)(H,13,14).
What are the key properties of (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone?
(3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone has a molecular weight of 228.22 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2,4-triazol-1-yl)-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 110485411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).