(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone

C14H21N5O — CID 134796795

IUPAC(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3nnc(C4CC4)n32)CC1
InChIInChI=1S/C14H21N5O/c1-17-6-8-18(9-7-17)14(20)11-4-5-12-15-16-13(19(11)12)10-2-3-10/h10-11H,2-9H2,1H3
InChIKeyICOOHOHZUIJDAN-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.42
Rot. Bonds2

About (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone

(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 134796795) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID134796795
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2CCc3nnc(C4CC4)n32)CC1
InChIInChI=1S/C14H21N5O/c1-17-6-8-18(9-7-17)14(20)11-4-5-12-15-16-13(19(11)12)10-2-3-10/h10-11H,2-9H2,1H3
InChIKeyICOOHOHZUIJDAN-UHFFFAOYSA-N
XLogP0.42
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N,4-dimethyl-2-(2-oxopiperidin-1-yl)pentanamide
CID 71972490
Sdccgsbi-0662674.P001
CID 118740461
(3-tert-butyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-morpholin-4-ylmethanone
CID 118740463
(3-tert-butyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-pyrrolidin-1-ylmethanone
CID 118740464
Sdccgsbi-0662644.P001
CID 118740491
3-tert-butyl-N-propan-2-yl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740607
N,N-dimethyl-3-[(propan-2-ylcarbamoylamino)methyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxamide
CID 118740609
Sdccgsbi-0662665.P001
CID 118740610
1-[4-[5-(4-ethylpiperazine-1-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]ethanone
CID 134796352
2-amino-N,3-dimethyl-N-{5H,6H,7H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl}butanamide
CID 54872748
[4-(4-Propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-pyrrolidin-2-ylmethanone
CID 53192618
cyclopropyl-[4-[5-(morpholine-4-carbonyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]piperidin-1-yl]methanone
CID 134788824

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone (CID 134796795) is (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2CCc3nnc(C4CC4)n32)CC1.
What is the InChIKey of (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ICOOHOHZUIJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-6-8-18(9-7-17)14(20)11-4-5-12-15-16-13(19(11)12)10-2-3-10/h10-11H,2-9H2,1H3.
What are the key properties of (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone?
(3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 275.36 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-5-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 134796795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).