3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

C14H21N5O2 — CID 118740610

IUPAC3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(C)NC(=O)C1CCc2nnc(CNC(=O)C3CC3)n21
InChIInChI=1S/C14H21N5O2/c1-8(2)16-14(21)10-5-6-11-17-18-12(19(10)11)7-15-13(20)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,20)(H,16,21)
InChIKeySULBLCWVVNAQLZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.32
Rot. Bonds5

About 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide

3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 118740610) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound Name3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID118740610
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(C)NC(=O)C1CCc2nnc(CNC(=O)C3CC3)n21
InChIInChI=1S/C14H21N5O2/c1-8(2)16-14(21)10-5-6-11-17-18-12(19(10)11)7-15-13(20)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,20)(H,16,21)
InChIKeySULBLCWVVNAQLZ-UHFFFAOYSA-N
XLogP0.32
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 118740610) is 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is CC(C)NC(=O)C1CCc2nnc(CNC(=O)C3CC3)n21.
What is the InChIKey of 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is SULBLCWVVNAQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-8(2)16-14(21)10-5-6-11-17-18-12(19(10)11)7-15-13(20)9-3-4-9/h8-10H,3-7H2,1-2H3,(H,15,20)(H,16,21).
What are the key properties of 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 291.35 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopropanecarbonylamino)methyl]-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 118740610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).