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

C14H22N4 — CID 43748153

IUPACN-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1nnc2n1CCC2
InChIInChI=1S/C14H22N4/c1-9(14-17-16-12-3-2-8-18(12)14)15-13(10-4-5-10)11-6-7-11/h9-11,13,15H,2-8H2,1H3
InChIKeySFRADWKDQFNBDM-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.06
Rot. Bonds5

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

N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (PubChem CID 43748153) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
PubChem CID43748153
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NC(C1CC1)C1CC1)c1nnc2n1CCC2
InChIInChI=1S/C14H22N4/c1-9(14-17-16-12-3-2-8-18(12)14)15-13(10-4-5-10)11-6-7-11/h9-11,13,15H,2-8H2,1H3
InChIKeySFRADWKDQFNBDM-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The IUPAC name of N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (CID 43748153) is N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.
What is the SMILES notation for N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The canonical SMILES for N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is CC(NC(C1CC1)C1CC1)c1nnc2n1CCC2.
What is the InChIKey of N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The InChIKey is SFRADWKDQFNBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-9(14-17-16-12-3-2-8-18(12)14)15-13(10-4-5-10)11-6-7-11/h9-11,13,15H,2-8H2,1H3.
What are the key properties of N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine has a molecular weight of 246.36 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dicyclopropylmethyl)-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is sourced from PubChem (CID 43748153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).