4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine

C14H18N4 — CID 114081115

IUPAC4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCn1nncc1-c1cccc2c1CCC2N
InChIInChI=1S/C14H18N4/c1-2-8-18-14(9-16-17-18)12-5-3-4-11-10(12)6-7-13(11)15/h3-5,9,13H,2,6-8,15H2,1H3
InChIKeyCRZJVAUAQTZARD-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.30
Rot. Bonds3

About 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine

4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 114081115) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID114081115
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCCCn1nncc1-c1cccc2c1CCC2N
InChIInChI=1S/C14H18N4/c1-2-8-18-14(9-16-17-18)12-5-3-4-11-10(12)6-7-13(11)15/h3-5,9,13H,2,6-8,15H2,1H3
InChIKeyCRZJVAUAQTZARD-UHFFFAOYSA-N
XLogP2.30
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine (CID 114081115) is 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine is CCCn1nncc1-c1cccc2c1CCC2N.
What is the InChIKey of 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CRZJVAUAQTZARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-8-18-14(9-16-17-18)12-5-3-4-11-10(12)6-7-13(11)15/h3-5,9,13H,2,6-8,15H2,1H3.
What are the key properties of 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 242.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyltriazol-4-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 114081115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).