N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine

C22H18N8 — CID 23536548

IUPACN-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine
SMILESc1ccc(CNc2ncccc2-c2ncnc(Nc3ccc4[nH]ncc4c3)n2)cc1
InChIInChI=1S/C22H18N8/c1-2-5-15(6-3-1)12-24-20-18(7-4-10-23-20)21-25-14-26-22(29-21)28-17-8-9-19-16(11-17)13-27-30-19/h1-11,13-14H,12H2,(H,23,24)(H,27,30)(H,25,26,28,29)
InChIKeyHREQMPLXHLAHEN-UHFFFAOYSA-N
MW394.44 g/mol
LogP4.17
Rot. Bonds6

About N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine

N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine (PubChem CID 23536548) has the molecular formula C22H18N8 and a molecular weight of 394.44 g/mol. Its IUPAC name is N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine
PubChem CID23536548
Molecular FormulaC22H18N8
Molecular Weight394.44 g/mol
Exact Mass394.17
IUPAC NameN-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine
SMILESc1ccc(CNc2ncccc2-c2ncnc(Nc3ccc4[nH]ncc4c3)n2)cc1
InChIInChI=1S/C22H18N8/c1-2-5-15(6-3-1)12-24-20-18(7-4-10-23-20)21-25-14-26-22(29-21)28-17-8-9-19-16(11-17)13-27-30-19/h1-11,13-14H,12H2,(H,23,24)(H,27,30)(H,25,26,28,29)
InChIKeyHREQMPLXHLAHEN-UHFFFAOYSA-N
XLogP4.17
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[(4-fluorophenyl)methylamino]-3-pyridinyl]-N-[3-(imidazol-1-ylmethyl)phenyl]-1,3,5-triazin-2-amine
CID 23535927
2-N-(1H-indazol-5-yl)-4-N-(pyridin-2-ylmethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 44562903
4-[(1H-indazol-5-ylamino)methyl]benzoic acid
CID 65347918
1-(benzylamino)-2-[2-[4-(1H-indazol-5-ylamino)quinazolin-2-yl]phenoxy]ethanol
CID 90763693
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
4-[2-(2-phenylpropylamino)-3-pyridinyl]-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine
CID 23535911
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-(1H-indazol-5-yl)-3-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 15551930
N-[6-(2-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
CID 68913809
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine?
The IUPAC name of N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine (CID 23536548) is N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine is c1ccc(CNc2ncccc2-c2ncnc(Nc3ccc4[nH]ncc4c3)n2)cc1.
What is the InChIKey of N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine?
The InChIKey is HREQMPLXHLAHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N8/c1-2-5-15(6-3-1)12-24-20-18(7-4-10-23-20)21-25-14-26-22(29-21)28-17-8-9-19-16(11-17)13-27-30-19/h1-11,13-14H,12H2,(H,23,24)(H,27,30)(H,25,26,28,29).
What are the key properties of N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine?
N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine has a molecular weight of 394.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(benzylamino)-3-pyridinyl]-1,3,5-triazin-2-yl]-1H-indazol-5-amine is sourced from PubChem (CID 23536548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).