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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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).