N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine

C16H16N8 — CID 167157745

IUPACN-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine
SMILESCc1c(Nc2nc(-c3ccnc(N)c3)nn2C)ccc2[nH]ncc12
InChIInChI=1S/C16H16N8/c1-9-11-8-19-22-13(11)4-3-12(9)20-16-21-15(23-24(16)2)10-5-6-18-14(17)7-10/h3-8H,1-2H3,(H2,17,18)(H,19,22)(H,20,21,23)
InChIKeyOZWXIJRMARAHRX-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.39
Rot. Bonds3

About N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine

N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine (PubChem CID 167157745) has the molecular formula C16H16N8 and a molecular weight of 320.36 g/mol. Its IUPAC name is N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine
PubChem CID167157745
Molecular FormulaC16H16N8
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC NameN-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine
SMILESCc1c(Nc2nc(-c3ccnc(N)c3)nn2C)ccc2[nH]ncc12
InChIInChI=1S/C16H16N8/c1-9-11-8-19-22-13(11)4-3-12(9)20-16-21-15(23-24(16)2)10-5-6-18-14(17)7-10/h3-8H,1-2H3,(H2,17,18)(H,19,22)(H,20,21,23)
InChIKeyOZWXIJRMARAHRX-UHFFFAOYSA-N
XLogP2.39
TPSA110.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine?
The IUPAC name of N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine (CID 167157745) is N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine.
What is the SMILES notation for N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine?
The canonical SMILES for N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine is Cc1c(Nc2nc(-c3ccnc(N)c3)nn2C)ccc2[nH]ncc12.
What is the InChIKey of N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine?
The InChIKey is OZWXIJRMARAHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8/c1-9-11-8-19-22-13(11)4-3-12(9)20-16-21-15(23-24(16)2)10-5-6-18-14(17)7-10/h3-8H,1-2H3,(H2,17,18)(H,19,22)(H,20,21,23).
What are the key properties of N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine?
N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine has a molecular weight of 320.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-pyridinyl)-2-methyl-1,2,4-triazol-3-yl]-4-methyl-1H-indazol-5-amine is sourced from PubChem (CID 167157745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).