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

C11H21N5 — CID 106282005

IUPAC1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCC(CC1CCCN1)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H21N5/c1-8(6-10-4-3-5-12-10)15-9(2)11-13-7-14-16-11/h7-10,12,15H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyBFNDXSMUULMILV-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.99
Rot. Bonds5

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

1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (PubChem CID 106282005) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
PubChem CID106282005
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine
SMILESCC(CC1CCCN1)NC(C)c1ncn[nH]1
InChIInChI=1S/C11H21N5/c1-8(6-10-4-3-5-12-10)15-9(2)11-13-7-14-16-11/h7-10,12,15H,3-6H2,1-2H3,(H,13,14,16)
InChIKeyBFNDXSMUULMILV-UHFFFAOYSA-N
XLogP0.99
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propan-2-amine
CID 79560554
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81352833
2-(1-pyrrolidin-2-ylpropan-2-ylamino)propane-1,3-diol
CID 79540590
N-[1-(4-ethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541259
1-piperidin-2-yl-N-[(1R)-1-pyridin-4-ylethyl]propan-2-amine
CID 81405627
1-piperidin-2-yl-N-[(1S)-1-pyridin-2-ylethyl]propan-2-amine
CID 81402179
1-piperidin-2-yl-N-[(1R)-1-pyridin-2-ylethyl]propan-2-amine
CID 81401502
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79540321
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 81371157
N-[1-(2-chlorophenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541521
N-[(1S)-1-(4-fluorophenyl)ethyl]-1-piperidin-2-ylpropan-2-amine
CID 81348101
N-[1-(2,4-dimethylphenyl)ethyl]-1-pyrrolidin-2-ylpropan-2-amine
CID 79541870

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine (CID 106282005) is 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is CC(CC1CCCN1)NC(C)c1ncn[nH]1.
What is the InChIKey of 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
The InChIKey is BFNDXSMUULMILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5/c1-8(6-10-4-3-5-12-10)15-9(2)11-13-7-14-16-11/h7-10,12,15H,3-6H2,1-2H3,(H,13,14,16).
What are the key properties of 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine?
1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine has a molecular weight of 223.32 g/mol, XLogP of 0.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-2-yl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 106282005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).