N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine

C20H30N6 — CID 167923741

IUPACN-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
SMILESCN1CCC(N2CCC(NCc3cn(Cc4ccccc4)nn3)C2)CC1
InChIInChI=1S/C20H30N6/c1-24-10-8-20(9-11-24)25-12-7-18(15-25)21-13-19-16-26(23-22-19)14-17-5-3-2-4-6-17/h2-6,16,18,20-21H,7-15H2,1H3
InChIKeyBMSLKTSSCBPBTB-UHFFFAOYSA-N
MW354.50 g/mol
LogP1.58
Rot. Bonds6

About N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine

N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine (PubChem CID 167923741) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
PubChem CID167923741
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC NameN-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine
SMILESCN1CCC(N2CCC(NCc3cn(Cc4ccccc4)nn3)C2)CC1
InChIInChI=1S/C20H30N6/c1-24-10-8-20(9-11-24)25-12-7-18(15-25)21-13-19-16-26(23-22-19)14-17-5-3-2-4-6-17/h2-6,16,18,20-21H,7-15H2,1H3
InChIKeyBMSLKTSSCBPBTB-UHFFFAOYSA-N
XLogP1.58
TPSA49.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine?
The IUPAC name of N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine (CID 167923741) is N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine.
What is the SMILES notation for N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine?
The canonical SMILES for N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine is CN1CCC(N2CCC(NCc3cn(Cc4ccccc4)nn3)C2)CC1.
What is the InChIKey of N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine?
The InChIKey is BMSLKTSSCBPBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-24-10-8-20(9-11-24)25-12-7-18(15-25)21-13-19-16-26(23-22-19)14-17-5-3-2-4-6-17/h2-6,16,18,20-21H,7-15H2,1H3.
What are the key properties of N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine?
N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine has a molecular weight of 354.50 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyltriazol-4-yl)methyl]-1-(1-methylpiperidin-4-yl)pyrrolidin-3-amine is sourced from PubChem (CID 167923741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).