N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride

C11H23Cl2N5 — CID 119921495

IUPACN-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride
SMILESCCCN(CCn1cncn1)C1CCNC1.Cl.Cl
InChIInChI=1S/C11H21N5.2ClH/c1-2-5-15(11-3-4-12-8-11)6-7-16-10-13-9-14-16;;/h9-12H,2-8H2,1H3;2*1H
InChIKeyKMNSTKNRCJSPBX-UHFFFAOYSA-N
MW296.25 g/mol
LogP1.20
Rot. Bonds6

About N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride

N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride (PubChem CID 119921495) has the molecular formula C11H23Cl2N5 and a molecular weight of 296.25 g/mol. Its IUPAC name is N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride
PubChem CID119921495
Molecular FormulaC11H23Cl2N5
Molecular Weight296.25 g/mol
Exact Mass295.13
IUPAC NameN-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride
SMILESCCCN(CCn1cncn1)C1CCNC1.Cl.Cl
InChIInChI=1S/C11H21N5.2ClH/c1-2-5-15(11-3-4-12-8-11)6-7-16-10-13-9-14-16;;/h9-12H,2-8H2,1H3;2*1H
InChIKeyKMNSTKNRCJSPBX-UHFFFAOYSA-N
XLogP1.20
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 60806180
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CID 63636647
N-propyl-N-(2-pyrazol-1-ylethyl)piperidin-4-amine
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N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
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N-(2-phenylsulfanylethyl)-N-propylpyrrolidin-3-amine;hydrochloride
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(3S)-N,N-diethylpyrrolidin-3-amine
CID 30722524
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
N-(piperidin-3-ylmethyl)-N-propyl-2-(1,2,4-triazol-1-yl)acetamide
CID 106628190
N-(3-ethylsulfanylpropyl)-N-propylpyrrolidin-3-amine
CID 115741376
N-ethyl-N-piperidin-3-yl-2-(1,2,4-triazol-1-yl)acetamide
CID 60807405
5,5-dimethyl-3-[2-[propyl(pyrrolidin-3-yl)amino]ethyl]imidazolidine-2,4-dione
CID 63300562
N-benzyl-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921759

Frequently Asked Questions

What is the IUPAC name of N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride (CID 119921495) is N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride is CCCN(CCn1cncn1)C1CCNC1.Cl.Cl.
What is the InChIKey of N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride?
The InChIKey is KMNSTKNRCJSPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5.2ClH/c1-2-5-15(11-3-4-12-8-11)6-7-16-10-13-9-14-16;;/h9-12H,2-8H2,1H3;2*1H.
What are the key properties of N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride?
N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride has a molecular weight of 296.25 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 119921495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).