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

C13H24N4 — CID 43748030

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C13H24N4/c1-5-9(2)10(3)14-11(4)13-16-15-12-7-6-8-17(12)13/h9-11,14H,5-8H2,1-4H3
InChIKeyBUINKWRSKZHUSS-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.31
Rot. Bonds5

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine (PubChem CID 43748030) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine
PubChem CID43748030
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine
SMILESCCC(C)C(C)NC(C)c1nnc2n1CCC2
InChIInChI=1S/C13H24N4/c1-5-9(2)10(3)14-11(4)13-16-15-12-7-6-8-17(12)13/h9-11,14H,5-8H2,1-4H3
InChIKeyBUINKWRSKZHUSS-UHFFFAOYSA-N
XLogP2.31
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]-3-methylpentan-2-amine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine (CID 43748030) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-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]-3-methylpentan-2-amine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine is CCC(C)C(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]-3-methylpentan-2-amine?
The InChIKey is BUINKWRSKZHUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-9(2)10(3)14-11(4)13-16-15-12-7-6-8-17(12)13/h9-11,14H,5-8H2,1-4H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-methylpentan-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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]-3-methylpentan-2-amine is sourced from PubChem (CID 43748030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).