N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine

C14H26N4O — CID 43748023

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H26N4O/c1-10(9-14(3,4)19-5)15-11(2)13-17-16-12-7-6-8-18(12)13/h10-11,15H,6-9H2,1-5H3
InChIKeyLZEVXNIITHLWNQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.08
Rot. Bonds6

About N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine (PubChem CID 43748023) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
PubChem CID43748023
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
SMILESCOC(C)(C)CC(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C14H26N4O/c1-10(9-14(3,4)19-5)15-11(2)13-17-16-12-7-6-8-18(12)13/h10-11,15H,6-9H2,1-5H3
InChIKeyLZEVXNIITHLWNQ-UHFFFAOYSA-N
XLogP2.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine (CID 43748023) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine is COC(C)(C)CC(C)NC(C)c1nnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
The InChIKey is LZEVXNIITHLWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(9-14(3,4)19-5)15-11(2)13-17-16-12-7-6-8-18(12)13/h10-11,15H,6-9H2,1-5H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-4-methoxy-4-methylpentan-2-amine is sourced from PubChem (CID 43748023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).