N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine

C13H23N5 — CID 113412895

IUPACN-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESc1cn(CCCN2CCC(CNC3CC3)C2)nn1
InChIInChI=1S/C13H23N5/c1(7-18-9-5-15-16-18)6-17-8-4-12(11-17)10-14-13-2-3-13/h5,9,12-14H,1-4,6-8,10-11H2
InChIKeyOOIYBSIGCNABLM-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.74
Rot. Bonds7

About N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 113412895) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID113412895
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESc1cn(CCCN2CCC(CNC3CC3)C2)nn1
InChIInChI=1S/C13H23N5/c1(7-18-9-5-15-16-18)6-17-8-4-12(11-17)10-14-13-2-3-13/h5,9,12-14H,1-4,6-8,10-11H2
InChIKeyOOIYBSIGCNABLM-UHFFFAOYSA-N
XLogP0.74
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-Pyrrolidin-2-ylmethyl]-1H-1,2,3-triazole
CID 98042436
1-(Pyrrolidin-3-YL)-1H-1,2,3-triazole
CID 15228837
1-[(pyrrolidin-3-yl)methyl]-1H-1,2,3-triazole
CID 84020861
1-(pyrrolidin-3-yl)-1H-1,2,3-triazole dihydrochloride
CID 112758024
rac-(3R,4S)-N,N-dimethyl-4-(1H-1,2,3-triazol-1-yl)pyrrolidin-3-amine trihydrochloride
CID 137833665
1-(pyrrolidin-3-yl)-1H-1,2,3-triazole hydrochloride
CID 19005943
Rac-(3r,4s)-n,n-dimethyl-4-(1h-1,2,3-triazol-1-yl)pyrrolidin-3-amine
CID 124252051
4-(Triazol-1-yl)pyrrolidin-3-amine
CID 19005950
(3S,4R)-4-(triazol-1-yl)pyrrolidin-3-amine
CID 53705766
(S)-1-(Pyrrolidin-3-YL)-1H-1,2,3-triazole
CID 54436002
(R)-1-(Pyrrolidin-3-YL)-1H-1,2,3-triazole
CID 54436003
2-Ethyl-4-(triazol-1-yl)pyrrolidin-3-amine
CID 57070819

Frequently Asked Questions

What is the IUPAC name of N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine (CID 113412895) is N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine is c1cn(CCCN2CCC(CNC3CC3)C2)nn1.
What is the InChIKey of N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is OOIYBSIGCNABLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1(7-18-9-5-15-16-18)6-17-8-4-12(11-17)10-14-13-2-3-13/h5,9,12-14H,1-4,6-8,10-11H2.
What are the key properties of N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 249.36 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[3-(triazol-1-yl)propyl]pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 113412895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).