[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone

C14H21N7O — CID 97405757

IUPAC[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)N(C)Cc1nnc2n1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C14H21N7O/c1-10(2)19(3)8-12-17-18-13-9-20(6-7-21(12)13)14(22)11-4-5-15-16-11/h4-5,10H,6-9H2,1-3H3,(H,15,16)
InChIKeyHUTWACIGQNNZNX-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.50
Rot. Bonds4

About [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone

[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 97405757) has the molecular formula C14H21N7O and a molecular weight of 303.37 g/mol. Its IUPAC name is [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID97405757
Molecular FormulaC14H21N7O
Molecular Weight303.37 g/mol
Exact Mass303.18
IUPAC Name[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC(C)N(C)Cc1nnc2n1CCN(C(=O)c1ccn[nH]1)C2
InChIInChI=1S/C14H21N7O/c1-10(2)19(3)8-12-17-18-13-9-20(6-7-21(12)13)14(22)11-4-5-15-16-11/h4-5,10H,6-9H2,1-3H3,(H,15,16)
InChIKeyHUTWACIGQNNZNX-UHFFFAOYSA-N
XLogP0.50
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone (CID 97405757) is [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone is CC(C)N(C)Cc1nnc2n1CCN(C(=O)c1ccn[nH]1)C2.
What is the InChIKey of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is HUTWACIGQNNZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O/c1-10(2)19(3)8-12-17-18-13-9-20(6-7-21(12)13)14(22)11-4-5-15-16-11/h4-5,10H,6-9H2,1-3H3,(H,15,16).
What are the key properties of [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone?
[3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 97405757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).