N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine

C17H19N3 — CID 43782695

IUPACN-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
SMILESCc1cc(C)c(CNc2ccc3[nH]ncc3c2)cc1C
InChIInChI=1S/C17H19N3/c1-11-6-13(3)14(7-12(11)2)9-18-16-4-5-17-15(8-16)10-19-20-17/h4-8,10,18H,9H2,1-3H3,(H,19,20)
InChIKeyIODCCKZDPHZVOG-UHFFFAOYSA-N
MW265.36 g/mol
LogP4.10
Rot. Bonds3

About N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine

N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine (PubChem CID 43782695) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
PubChem CID43782695
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine
SMILESCc1cc(C)c(CNc2ccc3[nH]ncc3c2)cc1C
InChIInChI=1S/C17H19N3/c1-11-6-13(3)14(7-12(11)2)9-18-16-4-5-17-15(8-16)10-19-20-17/h4-8,10,18H,9H2,1-3H3,(H,19,20)
InChIKeyIODCCKZDPHZVOG-UHFFFAOYSA-N
XLogP4.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chloro-2-methylphenyl)methyl]-1H-indazol-5-amine
CID 104854338
N-[(4-ethylphenyl)methyl]-1H-indazol-5-amine
CID 43690856
N-[(6-methyl-3-pyridinyl)methyl]-1H-indazol-5-amine
CID 104756562
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1H-indazol-5-amine
CID 102832434
N-[(4-tert-butylphenyl)methyl]-1H-indazol-5-amine
CID 43231004
4-[(1H-indazol-5-ylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 75389926
N-[(1-ethylpyrrol-3-yl)methyl]-1H-indazol-5-amine
CID 66414928
N-[(2,4,5-trimethylphenyl)methyl]naphthalen-2-amine
CID 43780291
N-(1-benzothiophen-3-ylmethyl)-1H-indazol-5-amine
CID 62699427
N-[(3,4-dimethylphenyl)methyl]-1H-indazol-6-amine
CID 43790642
N-(anthracen-9-ylmethyl)-1H-indazol-5-amine
CID 784305
N-(naphthalen-2-ylmethyl)-1H-indazol-5-amine
CID 762796

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine?
The IUPAC name of N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine (CID 43782695) is N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine is Cc1cc(C)c(CNc2ccc3[nH]ncc3c2)cc1C.
What is the InChIKey of N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine?
The InChIKey is IODCCKZDPHZVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-6-13(3)14(7-12(11)2)9-18-16-4-5-17-15(8-16)10-19-20-17/h4-8,10,18H,9H2,1-3H3,(H,19,20).
What are the key properties of N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine?
N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine has a molecular weight of 265.36 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,5-trimethylphenyl)methyl]-1H-indazol-5-amine is sourced from PubChem (CID 43782695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).