N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C12H17N5 — CID 66402782

IUPACN-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCn1ncnc1Cn1cccc1CNC1CC1
InChIInChI=1S/C12H17N5/c1-16-12(14-9-15-16)8-17-6-2-3-11(17)7-13-10-4-5-10/h2-3,6,9-10,13H,4-5,7-8H2,1H3
InChIKeyFMGSMLPOYHHLSI-UHFFFAOYSA-N
MW231.30 g/mol
LogP0.92
Rot. Bonds5

About N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66402782) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66402782
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC NameN-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCn1ncnc1Cn1cccc1CNC1CC1
InChIInChI=1S/C12H17N5/c1-16-12(14-9-15-16)8-17-6-2-3-11(17)7-13-10-4-5-10/h2-3,6,9-10,13H,4-5,7-8H2,1H3
InChIKeyFMGSMLPOYHHLSI-UHFFFAOYSA-N
XLogP0.92
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(1-methyl-1H-pyrrol-2-yl)methyl]-1H-tetrazol-5-amine
CID 667169
4-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-3,5-dimethyl-1,2,4-triazole
CID 6887199
N-[(1-methyl-1H-pyrrol-2-yl)methylene]-N-(4H-1,2,4-triazol-4-yl)amine
CID 6858429
2-{5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl}pyridine dihydrochloride
CID 67454095
6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-amine
CID 81572838
1-[6-(4-Propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-pyridin-2-ylthiourea
CID 155230931
US11124496, Example 5
CID 137549780
(Cyclopropylmethyl)(1-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}ethyl)amine
CID 43685650
1-((pyridin-2-yl)methyl)-1H-1,2,4-triazol-3-amine
CID 47002772
N-[(1-methylpyrrol-2-yl)methyl]-1-propyltetrazol-5-amine
CID 666222
1,3-dimethyl-2-[(E)-2-(1-methylpyrrol-2-yl)ethenyl]imidazol-1-ium iodide
CID 46906720
1-[1-(4-Methyl-1,2,4-triazol-3-yl)ethyl]-3-(2-pyrrolidin-1-yl-3-pyridinyl)urea
CID 51084701

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66402782) is N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is Cn1ncnc1Cn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is FMGSMLPOYHHLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-16-12(14-9-15-16)8-17-6-2-3-11(17)7-13-10-4-5-10/h2-3,6,9-10,13H,4-5,7-8H2,1H3.
What are the key properties of N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 231.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66402782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).