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

C15H24N6 — CID 43791520

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NCc1cnn(C(C)(C)C)c1)c1nnc2n1CCC2
InChIInChI=1S/C15H24N6/c1-11(14-19-18-13-6-5-7-20(13)14)16-8-12-9-17-21(10-12)15(2,3)4/h9-11,16H,5-8H2,1-4H3
InChIKeyBRSPPNIDFPBFSF-UHFFFAOYSA-N
MW288.40 g/mol
LogP2.03
Rot. Bonds4

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

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (PubChem CID 43791520) has the molecular formula C15H24N6 and a molecular weight of 288.40 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
PubChem CID43791520
Molecular FormulaC15H24N6
Molecular Weight288.40 g/mol
Exact Mass288.21
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
SMILESCC(NCc1cnn(C(C)(C)C)c1)c1nnc2n1CCC2
InChIInChI=1S/C15H24N6/c1-11(14-19-18-13-6-5-7-20(13)14)16-8-12-9-17-21(10-12)15(2,3)4/h9-11,16H,5-8H2,1-4H3
InChIKeyBRSPPNIDFPBFSF-UHFFFAOYSA-N
XLogP2.03
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.40
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(4-methoxyphenyl)methyl]ethanamine
CID 43433228
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(thiophen-3-ylmethyl)ethanamine
CID 71929315
N-(pyridin-3-ylmethyl)-1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethanamine
CID 43426023
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(5-methyl-2-pyridinyl)methyl]ethanamine
CID 80708065
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]pentan-3-amine
CID 43748148
N-[(2,6-difluorophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43748063
2,2-dimethyl-N-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]propan-1-amine
CID 61325147
N-[(2-bromophenyl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine
CID 43433211
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine
CID 114555436

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine (CID 43791520) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is CC(NCc1cnn(C(C)(C)C)c1)c1nnc2n1CCC2.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
The InChIKey is BRSPPNIDFPBFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6/c1-11(14-19-18-13-6-5-7-20(13)14)16-8-12-9-17-21(10-12)15(2,3)4/h9-11,16H,5-8H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine has a molecular weight of 288.40 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethanamine is sourced from PubChem (CID 43791520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).