N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine

C17H16N4 — CID 75497957

IUPACN-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1cc(NC2Cc3ccccc3C2)cc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H16N4/c1-2-5-13-9-16(8-12(13)4-1)20-15-7-3-6-14(10-15)17-18-11-19-21-17/h1-7,10-11,16,20H,8-9H2,(H,18,19,21)
InChIKeyCVUUJVVRSPGVPO-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.05
Rot. Bonds3

About N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine

N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 75497957) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID75497957
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine
SMILESc1cc(NC2Cc3ccccc3C2)cc(-c2ncn[nH]2)c1
InChIInChI=1S/C17H16N4/c1-2-5-13-9-16(8-12(13)4-1)20-15-7-3-6-14(10-15)17-18-11-19-21-17/h1-7,10-11,16,20H,8-9H2,(H,18,19,21)
InChIKeyCVUUJVVRSPGVPO-UHFFFAOYSA-N
XLogP3.05
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine (CID 75497957) is N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine is c1cc(NC2Cc3ccccc3C2)cc(-c2ncn[nH]2)c1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is CVUUJVVRSPGVPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-2-5-13-9-16(8-12(13)4-1)20-15-7-3-6-14(10-15)17-18-11-19-21-17/h1-7,10-11,16,20H,8-9H2,(H,18,19,21).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine?
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 276.34 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)phenyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 75497957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).