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

C14H24N6O2 — CID 134790686

IUPACN-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(C)NC(=O)NCc1nnc2n1C(C(=O)NC(C)C)CC2
InChIInChI=1S/C14H24N6O2/c1-8(2)16-13(21)10-5-6-11-18-19-12(20(10)11)7-15-14(22)17-9(3)4/h8-10H,5-7H2,1-4H3,(H,16,21)(H2,15,17,22)
InChIKeyAJWXGYRXHAPZDV-UHFFFAOYSA-N
MW308.39 g/mol
LogP0.50
Rot. Bonds5

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

N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (PubChem CID 134790686) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.

Molecular Properties

Compound NameN-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
PubChem CID134790686
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
SMILESCC(C)NC(=O)NCc1nnc2n1C(C(=O)NC(C)C)CC2
InChIInChI=1S/C14H24N6O2/c1-8(2)16-13(21)10-5-6-11-18-19-12(20(10)11)7-15-14(22)17-9(3)4/h8-10H,5-7H2,1-4H3,(H,16,21)(H2,15,17,22)
InChIKeyAJWXGYRXHAPZDV-UHFFFAOYSA-N
XLogP0.50
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The IUPAC name of N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide (CID 134790686) is N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide.
What is the SMILES notation for N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The canonical SMILES for N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is CC(C)NC(=O)NCc1nnc2n1C(C(=O)NC(C)C)CC2.
What is the InChIKey of N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
The InChIKey is AJWXGYRXHAPZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-8(2)16-13(21)10-5-6-11-18-19-12(20(10)11)7-15-14(22)17-9(3)4/h8-10H,5-7H2,1-4H3,(H,16,21)(H2,15,17,22).
What are the key properties of N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide?
N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide has a molecular weight of 308.39 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide is sourced from PubChem (CID 134790686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).