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

C14H21N5S — CID 43748033

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)c2nnc3n2CCC3)c(C)s1
InChIInChI=1S/C14H21N5S/c1-8(13-10(3)20-11(4)16-13)15-9(2)14-18-17-12-6-5-7-19(12)14/h8-9,15H,5-7H2,1-4H3
InChIKeyVBUUIEFGQQVOGG-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.71
Rot. Bonds4

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

N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (PubChem CID 43748033) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
PubChem CID43748033
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
SMILESCc1nc(C(C)NC(C)c2nnc3n2CCC3)c(C)s1
InChIInChI=1S/C14H21N5S/c1-8(13-10(3)20-11(4)16-13)15-9(2)14-18-17-12-6-5-7-19(12)14/h8-9,15H,5-7H2,1-4H3
InChIKeyVBUUIEFGQQVOGG-UHFFFAOYSA-N
XLogP2.71
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine with MolForge

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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]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine (CID 43748033) is N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is Cc1nc(C(C)NC(C)c2nnc3n2CCC3)c(C)s1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
The InChIKey is VBUUIEFGQQVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-8(13-10(3)20-11(4)16-13)15-9(2)14-18-17-12-6-5-7-19(12)14/h8-9,15H,5-7H2,1-4H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine?
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine has a molecular weight of 291.42 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 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]-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine is sourced from PubChem (CID 43748033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).