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

C15H18N4 — CID 66204627

IUPACN-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1-n1cc(CNC3CC3)nn1)CCC2
InChIInChI=1S/C15H18N4/c1-2-11-4-7-15(8-12(11)3-1)19-10-14(17-18-19)9-16-13-5-6-13/h4,7-8,10,13,16H,1-3,5-6,9H2
InChIKeyWVIXCMOJWAGRTH-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.01
Rot. Bonds4

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

N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine (PubChem CID 66204627) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine
PubChem CID66204627
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine
SMILESc1cc2c(cc1-n1cc(CNC3CC3)nn1)CCC2
InChIInChI=1S/C15H18N4/c1-2-11-4-7-15(8-12(11)3-1)19-10-14(17-18-19)9-16-13-5-6-13/h4,7-8,10,13,16H,1-3,5-6,9H2
InChIKeyWVIXCMOJWAGRTH-UHFFFAOYSA-N
XLogP2.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine (CID 66204627) is N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine is c1cc2c(cc1-n1cc(CNC3CC3)nn1)CCC2.
What is the InChIKey of N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WVIXCMOJWAGRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-11-4-7-15(8-12(11)3-1)19-10-14(17-18-19)9-16-13-5-6-13/h4,7-8,10,13,16H,1-3,5-6,9H2.
What are the key properties of N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine has a molecular weight of 254.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1H-inden-5-yl)triazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66204627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).