N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine

C12H12N4S — CID 66387358

IUPACN-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
SMILESNc1ccsc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C12H12N4S/c13-9-4-5-17-11(9)7-14-10-3-1-2-8-6-15-16-12(8)10/h1-6,14H,7,13H2,(H,15,16)
InChIKeyCPVXMKNRSCXHNN-UHFFFAOYSA-N
MW244.32 g/mol
LogP2.82
Rot. Bonds3

About N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine

N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine (PubChem CID 66387358) has the molecular formula C12H12N4S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine.

Molecular Properties

Compound NameN-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
PubChem CID66387358
Molecular FormulaC12H12N4S
Molecular Weight244.32 g/mol
Exact Mass244.08
IUPAC NameN-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine
SMILESNc1ccsc1CNc1cccc2cn[nH]c12
InChIInChI=1S/C12H12N4S/c13-9-4-5-17-11(9)7-14-10-3-1-2-8-6-15-16-12(8)10/h1-6,14H,7,13H2,(H,15,16)
InChIKeyCPVXMKNRSCXHNN-UHFFFAOYSA-N
XLogP2.82
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine?
The IUPAC name of N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine (CID 66387358) is N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine.
What is the SMILES notation for N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine?
The canonical SMILES for N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine is Nc1ccsc1CNc1cccc2cn[nH]c12.
What is the InChIKey of N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine?
The InChIKey is CPVXMKNRSCXHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4S/c13-9-4-5-17-11(9)7-14-10-3-1-2-8-6-15-16-12(8)10/h1-6,14H,7,13H2,(H,15,16).
What are the key properties of N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine?
N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine has a molecular weight of 244.32 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminothiophen-2-yl)methyl]-1H-indazol-7-amine is sourced from PubChem (CID 66387358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).