N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide

C12H21N5O2 — CID 106612592

IUPACN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)CC1CCCN1
InChIInChI=1S/C12H21N5O2/c18-9-8-16(10-11-2-1-4-13-11)12(19)3-6-17-7-5-14-15-17/h5,7,11,13,18H,1-4,6,8-10H2
InChIKeyOTBGRHOADWMKDW-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.76
Rot. Bonds7

About N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide

N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide (PubChem CID 106612592) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide
PubChem CID106612592
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC NameN-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide
SMILESO=C(CCn1ccnn1)N(CCO)CC1CCCN1
InChIInChI=1S/C12H21N5O2/c18-9-8-16(10-11-2-1-4-13-11)12(19)3-6-17-7-5-14-15-17/h5,7,11,13,18H,1-4,6,8-10H2
InChIKeyOTBGRHOADWMKDW-UHFFFAOYSA-N
XLogP-0.76
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide (CID 106612592) is N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide is O=C(CCn1ccnn1)N(CCO)CC1CCCN1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide?
The InChIKey is OTBGRHOADWMKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c18-9-8-16(10-11-2-1-4-13-11)12(19)3-6-17-7-5-14-15-17/h5,7,11,13,18H,1-4,6,8-10H2.
What are the key properties of N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide?
N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide has a molecular weight of 267.33 g/mol, XLogP of -0.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(pyrrolidin-2-ylmethyl)-3-(triazol-1-yl)propanamide is sourced from PubChem (CID 106612592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).