1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine

C16H23N5 — CID 103952918

IUPAC1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(CCc2ccccc2)C1)c1ncn[nH]1
InChIInChI=1S/C16H23N5/c1-13(16-17-12-18-20-16)19-15-8-10-21(11-15)9-7-14-5-3-2-4-6-14/h2-6,12-13,15,19H,7-11H2,1H3,(H,17,18,20)
InChIKeyNZDPWQPNXXDRPU-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.77
Rot. Bonds6

About 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine

1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine (PubChem CID 103952918) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine
PubChem CID103952918
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine
SMILESCC(NC1CCN(CCc2ccccc2)C1)c1ncn[nH]1
InChIInChI=1S/C16H23N5/c1-13(16-17-12-18-20-16)19-15-8-10-21(11-15)9-7-14-5-3-2-4-6-14/h2-6,12-13,15,19H,7-11H2,1H3,(H,17,18,20)
InChIKeyNZDPWQPNXXDRPU-UHFFFAOYSA-N
XLogP1.77
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]propan-1-ol
CID 114986909
1-phenyl-N-[[1-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 167875395
2-methyl-3-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]butan-1-ol
CID 115677253
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 50972662
N-(1-methylsulfanylbutan-2-yl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 115901640
N-heptan-2-yl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 61211193
N-(2,3-dimethylbutyl)-1-(2-phenylethyl)pyrrolidin-3-amine
CID 64570465
1-methylsulfonyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]piperidin-4-amine
CID 114239296
1,1-dimethyl-2-[1-(2-phenylethyl)pyrrolidin-3-yl]hydrazine
CID 83004992
1-benzyl-N-pentan-3-ylpyrrolidin-3-amine
CID 43150638
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
5-[[1-(2-phenylethyl)pyrrolidin-3-yl]amino]pentan-2-ol
CID 107267756

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine (CID 103952918) is 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine is CC(NC1CCN(CCc2ccccc2)C1)c1ncn[nH]1.
What is the InChIKey of 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine?
The InChIKey is NZDPWQPNXXDRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-13(16-17-12-18-20-16)19-15-8-10-21(11-15)9-7-14-5-3-2-4-6-14/h2-6,12-13,15,19H,7-11H2,1H3,(H,17,18,20).
What are the key properties of 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine?
1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 103952918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).